104180
  -OEChem-05112408382D

 39 40  0     1  0  0  0  0  0999 V2000
    6.6992    3.5759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    3.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4766    5.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6106    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2366    3.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2366    5.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    4.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    5.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    2.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    6.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    3.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    5.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206    7.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    7.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006    6.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    3.5759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 39  1  0  0  0  0
  4  2  1  1  0  0  0
  2 16  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  6  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
104180

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
256

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAHAAQAAAADSjBGAQyAILAAACAAiBCAACCAAAgAAAIiIAIBIgIICKAkRGEIAhgkAAIiAcQgMAOgAAAAAAQAAAQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4S)-N-methyl-4-phenyl-tetralin-1-amine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,4<I>S</I>)-<I>N</I>-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(1R,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methyl-[(1R,4S)-4-phenyltetralin-1-yl]amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17+;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
XTSOELQVDLSJFM-SQQLFYIASA-N

> <PUBCHEM_EXACT_MASS>
273.1284273

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
273.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1CCC(C2=CC=CC=C12)C3=CC=CC=C3.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN[C@@H]1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3.Cl

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.1284273

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  15  8
12  15  8
13  17  8
14  18  8
17  19  8
18  19  8
4  2  5
3  9  6
7  10  8
7  8  8
8  11  8
9  13  8
9  14  8

$$$$