56840754
  -OEChem-04252410582D

 55 58  0     1  0  0  0  0  0999 V2000
    8.1301    3.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7327    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -4.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -4.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -4.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    4.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441   -1.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426   -1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    0.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -0.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -0.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -0.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -1.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -5.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -5.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -4.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -4.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    2.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062    3.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421    5.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    5.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    4.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 28  1  0  0  0  0
  2 27  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 20  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 21  2  0  0  0  0
 15 39  1  0  0  0  0
 16 22  1  0  0  0  0
 16 40  1  0  0  0  0
 17 25  1  0  0  0  0
 17 41  1  0  0  0  0
 18 23  2  0  0  0  0
 18 42  1  0  0  0  0
 19 24  1  0  0  0  0
 19 43  1  0  0  0  0
 20 26  2  0  0  0  0
 20 44  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56840754

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
479

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx/AAAHgAAAAAADAzBngYyxvMIFACgAyRiRACCiCAhIiAImCA+7JgNJuLE8duENCpkwBHK6AeQwPAOIAABAAACQABAAAIAAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-acridin-9-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-9-acridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(3,4-dimethoxyphenyl)propyl]-<I>N</I>-methylacridin-9-amine

> <PUBCHEM_IUPAC_NAME>
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylacridin-9-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-acridin-9-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-9-yl-[3-(3,4-dimethoxyphenyl)propyl]-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H26N2O2/c1-27(16-8-9-18-14-15-23(28-2)24(17-18)29-3)25-19-10-4-6-12-21(19)26-22-13-7-5-11-20(22)25/h4-7,10-15,17H,8-9,16H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
MBMVIPRANTZPTM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
386.199428076

> <PUBCHEM_MOLECULAR_FORMULA>
C25H26N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
386.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCCC1=CC(=C(C=C1)OC)OC)C2=C3C=CC=CC3=NC4=CC=CC=C42

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCCC1=CC(=C(C=C1)OC)OC)C2=C3C=CC=CC3=NC4=CC=CC=C42

> <PUBCHEM_CACTVS_TPSA>
34.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.199428076

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
10  16  8
11  17  8
11  20  8
13  18  8
14  19  8
15  21  8
16  22  8
17  25  8
18  23  8
19  24  8
20  26  8
21  23  8
22  24  8
25  27  8
26  27  8
4  13  8
4  14  8
7  10  8
7  9  8
9  13  8
9  15  8

$$$$