56846683
  -OEChem-05142400482D

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    4.6660   -0.7327    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -3.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3321   -2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2673    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
    8.1301    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441   -0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426   -0.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -0.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200    0.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8612    2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2641    3.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6162    3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3762    3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 47  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
56846683

> <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+7JgNJuLE8duENCpkwBHK6AeQ0PIOIAABAAACQABAAAIAAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-acridin-9-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-9-acridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(3,4-dimethoxyphenyl)ethyl]-<I>N</I>-ethylacridin-9-amine

> <PUBCHEM_IUPAC_NAME>
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-acridin-9-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-9-yl-ethyl-homoveratryl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H26N2O2/c1-4-27(16-15-18-13-14-23(28-2)24(17-18)29-3)25-19-9-5-7-11-21(19)26-22-12-8-6-10-20(22)25/h5-14,17H,4,15-16H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
UYZDFXLIBZVOGH-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>
CCN(CCC1=CC(=C(C=C1)OC)OC)C2=C3C=CC=CC3=NC4=CC=CC=C42

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CCC1=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  12  8
10  16  8
11  17  8
12  18  8
13  19  8
13  20  8
15  21  8
16  22  8
17  23  8
18  24  8
19  25  8
20  26  8
21  23  8
22  24  8
25  27  8
26  27  8
4  11  8
4  12  8
5  10  8
5  9  8
9  11  8
9  15  8

$$$$