
 CHEMBL62777

 46 47  0  0  0  0  0  0  0  0999 V2000
    3.9606    0.6165   -3.7009 C   0  0  0  0  0
    4.6410    1.0817   -2.4198 C   0  0  0  0  0
    3.6129    1.2975   -1.2979 C   0  0  0  0  0
    4.1815    1.7359   -0.0023 N   0  0  0  0  0
    3.1347    1.7866    1.0475 C   0  0  0  0  0
    2.3792    0.4803    1.3449 C   0  0  0  0  0
    3.2844   -0.6475    1.8101 C   0  0  0  0  0
    4.9302    3.0298   -0.1176 C   0  0  0  0  0
    5.6378    3.4378    1.1862 C   0  0  0  0  0
    6.5354    4.6508    0.9409 C   0  0  0  0  0
    5.7579    5.8293    0.4029 C   0  0  0  0  0
    6.1831    7.1585    0.6423 C   0  0  0  0  0
    5.4056    8.2288    0.1727 C   0  0  0  0  0
    4.2466    8.0015   -0.5631 C   0  0  0  0  0
    3.8610    6.6987   -0.8392 C   0  0  0  0  0
    4.6032    5.6008   -0.3741 C   0  0  0  0  0
    4.1028    4.2086   -0.6859 C   0  0  0  0  0
    2.7250    6.4589   -1.5639 O   0  0  0  0  0
    7.4249    7.4671    1.4336 C   0  0  0  0  0
    4.7058    0.4358   -4.4827 H   0  0  0  0  0
    3.2632    1.3776   -4.0683 H   0  0  0  0  0
    3.4026   -0.3120   -3.5404 H   0  0  0  0  0
    5.1836    2.0023   -2.6520 H   0  0  0  0  0
    5.3774    0.3324   -2.1086 H   0  0  0  0  0
    3.1212    0.3283   -1.1625 H   0  0  0  0  0
    2.8361    1.9953   -1.6350 H   0  0  0  0  0
    2.3819    2.5454    0.8073 H   0  0  0  0  0
    3.5876    2.0826    1.9992 H   0  0  0  0  0
    1.7904    0.1582    0.4806 H   0  0  0  0  0
    1.6503    0.6862    2.1390 H   0  0  0  0  0
    4.0110   -0.9248    1.0402 H   0  0  0  0  0
    2.6858   -1.5340    2.0440 H   0  0  0  0  0
    3.8294   -0.3619    2.7156 H   0  0  0  0  0
    5.7584    2.8511   -0.8166 H   0  0  0  0  0
    6.2494    2.6080    1.5612 H   0  0  0  0  0
    4.9149    3.6956    1.9684 H   0  0  0  0  0
    7.3331    4.4010    0.2307 H   0  0  0  0  0
    7.0086    4.9058    1.8956 H   0  0  0  0  0
    5.7028    9.2538    0.3816 H   0  0  0  0  0
    3.6645    8.8485   -0.9099 H   0  0  0  0  0
    3.0764    4.1603   -0.3101 H   0  0  0  0  0
    4.0510    4.0999   -1.7768 H   0  0  0  0  0
    2.3042    7.3108   -1.7704 H   0  0  0  0  0
    8.2629    6.8457    1.1000 H   0  0  0  0  0
    7.2441    7.2984    2.5002 H   0  0  0  0  0
    7.7320    8.5100    1.3001 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL62777

>  <PubChem CID>
9992840

>  <Formula>
C17H27NO

>  <Molecular Weight>
261.409000

>  <IUPAC Name>
7-(dipropylamino)-4-methyl-5,6,7,8-tetrahydronaphthalen-1-ol

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C=CC(=C2C1)O)C

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=C(C=CC(=C2C1)O)C

>  <InChI Std. ID>
InChI=1S/C17H27NO/c1-4-10-18(11-5-2)14-7-8-15-13(3)6-9-17(19)16(15)12-14/h6,9,14,19H,4-5,7-8,10-12H2,1-3H3

>  <InChI Key>
BNMXVEWINKAJLK-UHFFFAOYSA-N

