431429
  -OEChem-05102418542D

 42 44  0     1  0  0  0  0  0999 V2000
    7.0547   -0.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7771    1.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -0.0325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3364   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1326    0.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417    0.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7316    0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5579    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3719    1.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5942    1.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422    0.7838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    0.7838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1824   -2.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9387   -2.5778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7513   -2.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3466   -1.8797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375    1.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    1.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277    0.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7570   -0.2036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347   -0.0289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -2.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5469    0.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3235    0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9164    1.3187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1628    2.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4220    2.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9529    1.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
431429

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAQAAAAAwQAAAAAAAAEgBAAAAHgAAAAAADEThmAYyAIMABACAAiBCAAACAAAgAAAIiAAIAIgIJCKAsRCGMAAmwAAIqAeQwPAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethyl-2-(1-methyl-4,9-dihydro-3<I>H</I>-indeno[2,1-c]pyran-1-yl)ethanamine

> <PUBCHEM_IUPAC_NAME>
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dimethyl-[2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H23NO/c1-17(9-10-18(2)3)16-12-13-6-4-5-7-14(13)15(16)8-11-19-17/h4-7H,8-12H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
AMJPIGOYWBNJLP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
257.177964357

> <PUBCHEM_MOLECULAR_FORMULA>
C17H23NO

> <PUBCHEM_MOLECULAR_WEIGHT>
257.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2=C(CCO1)C3=CC=CC=C3C2)CCN(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2=C(CCO1)C3=CC=CC=C3C2)CCN(C)C

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.177964357

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  15  8
14  16  8
15  17  8
16  17  8
3  12  3
9  10  8
9  14  8

$$$$