
 CHEMBL188841

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.9832    0.4595   -0.1408 C   0  0  0  0  0
    2.5038    0.2094   -0.0637 C   0  0  0  0  0
    2.8439   -1.3501   -0.0410 C   0  0  0  0  0
    2.7284   -1.9127    1.3912 C   0  0  0  0  0
    3.7391   -1.2424    2.3037 C   0  0  0  0  0
    3.6016    0.2523    2.2910 C   0  0  0  0  0
    3.0365    0.9424    1.2006 C   0  0  0  0  0
    2.9459    2.3492    1.3000 C   0  0  0  0  0
    3.4243    3.0337    2.4130 C   0  0  0  0  0
    4.0071    2.3512    3.4674 C   0  0  0  0  0
    4.0951    0.9633    3.4024 C   0  0  0  0  0
    3.3015    4.3917    2.4266 O   0  0  0  0  0
    2.2226   -2.3189   -0.9771 N   0  0  0  0  0
    0.8419   -2.7200   -0.7454 C   0  0  0  0  0
    2.4855   -2.1030   -2.3900 C   0  0  0  0  0
    3.1717    0.8609   -1.3036 C   0  0  0  0  0
    0.4500   -0.0456    0.6719 H   0  0  0  0  0
    0.5719    0.1207   -1.0960 H   0  0  0  0  0
    0.7307    1.5241   -0.0734 H   0  0  0  0  0
    3.9194   -1.4144   -0.2702 H   0  0  0  0  0
    2.9264   -2.9929    1.4017 H   0  0  0  0  0
    1.7171   -1.7641    1.7902 H   0  0  0  0  0
    4.7592   -1.5048    1.9977 H   0  0  0  0  0
    3.5927   -1.6248    3.3214 H   0  0  0  0  0
    2.4932    2.9382    0.5062 H   0  0  0  0  0
    4.3896    2.8712    4.3387 H   0  0  0  0  0
    4.5502    0.4261    4.2328 H   0  0  0  0  0
    3.6743    4.7265    3.2577 H   0  0  0  0  0
    0.6571   -3.0158    0.2910 H   0  0  0  0  0
    0.6071   -3.6080   -1.3451 H   0  0  0  0  0
    0.1166   -1.9507   -1.0191 H   0  0  0  0  0
    3.5310   -1.8294   -2.5677 H   0  0  0  0  0
    1.8328   -1.3382   -2.8213 H   0  0  0  0  0
    2.3156   -3.0296   -2.9506 H   0  0  0  0  0
    4.2577    0.7109   -1.2888 H   0  0  0  0  0
    2.9972    1.9405   -1.3600 H   0  0  0  0  0
    2.7887    0.4624   -2.2434 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL188841

>  <PubChem CID>
11264459

>  <Formula>
C14H21NO

>  <Molecular Weight>
219.328000

>  <IUPAC Name>
7-(dimethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(C(CCC2=C1C=C(C=C2)O)N(C)C)C

>  <Isomeric SMILES>
CC1(C(CCC2=C1C=C(C=C2)O)N(C)C)C

>  <InChI Std. ID>
InChI=1S/C14H21NO/c1-14(2)12-9-11(16)7-5-10(12)6-8-13(14)15(3)4/h5,7,9,13,16H,6,8H2,1-4H3

>  <InChI Key>
ADDSXGPNDGSYDB-UHFFFAOYSA-N

