33741
  -OEChem-04242404382D

 44 45  0     1  0  0  0  0  0999 V2000
    4.9641    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.2990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441    0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010    1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2741    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4272    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1 31  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  6  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
33741

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
282

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABAAAAHgAACAAADUTBmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOCIgMJiKEsRqEcCAmwBEIuAfQwPAOgAABAAAAAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

> <PUBCHEM_IUPAC_NAME>
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
TVYLLZQTGLZFBW-ZBFHGGJFSA-N

> <PUBCHEM_XLOGP3>
2.6

> <PUBCHEM_EXACT_MASS>
263.188529040

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
263.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.188529040

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  1  6
11  12  8
11  13  8
12  16  8
13  17  8
16  18  8
17  18  8
4  10  6

$$$$