62573
  -OEChem-05221319092D

 41 41  0     1  0  0  0  0  0999 V2000
    6.5380    4.3700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051    4.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    3.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450    4.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  2  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 13 17  2  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  2  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62573

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
214

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAAAAAADCjBGAQyAIMAAACAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-N-methyl-1-phenyl-propan-2-amine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-1-phenyl-N-(phenylmethyl)-2-propanamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-1-phenyl-N-(phenylmethyl)propan-2-amine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzyl-methyl-(1-methyl-2-phenyl-ethyl)amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
ANFSNXAXVLRZCG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
275.144077

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
275.81628

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2.Cl

> <PUBCHEM_CACTVS_TPSA>
3.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.144077

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  18  8
16  19  8
17  19  8
3  20  3
7  10  8
7  11  8
9  12  8
9  13  8

$$$$