
 CHEMBL368783

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.0977    0.5085   -0.6354 C   0  0  0  0  0
    2.4510    0.1778   -0.3515 O   0  0  0  0  0
    3.3441    1.2157   -0.3019 C   0  0  0  0  0
    4.6756    0.8243   -0.1151 C   0  0  0  0  0
    5.7002    1.7912   -0.0619 C   0  0  0  0  0
    5.3612    3.1408   -0.2012 C   0  0  0  0  0
    4.0283    3.5503   -0.3657 C   0  0  0  0  0
    3.0298    2.5678   -0.4135 C   0  0  0  0  0
    6.5391    3.8699   -0.1433 N   0  0  0  0  0
    7.5954    3.0185    0.0725 C   0  0  0  0  0
    7.1083    1.7269    0.1146 C   0  0  0  0  0
    7.9857    0.5399    0.3361 C   0  0  0  0  0
    9.4670    0.8918    0.1075 C   0  0  0  0  0
    9.8489    2.2310    0.7620 C   0  0  0  0  0
    9.0315    3.4071    0.1972 C   0  0  0  0  0
    6.6431    5.3076   -0.3854 C   0  0  0  0  0
    6.5478    6.1823    0.8442 C   0  0  0  0  0
    6.6801    7.5701    0.6727 C   0  0  0  0  0
    6.6024    8.4424    1.7633 C   0  0  0  0  0
    6.4354    7.9512    3.0572 C   0  0  0  0  0
    6.2350    6.5807    3.2253 C   0  0  0  0  0
    6.3106    5.7013    2.1377 C   0  0  0  0  0
    6.2388    8.8324    4.1269 N   0  0  0  0  0
    0.5327   -0.4261   -0.7039 H   0  0  0  0  0
    1.0068    1.0220   -1.5985 H   0  0  0  0  0
    0.6617    1.1034    0.1736 H   0  0  0  0  0
    4.9186   -0.2297   -0.0181 H   0  0  0  0  0
    3.7634    4.5998   -0.4487 H   0  0  0  0  0
    2.0057    2.9036   -0.5388 H   0  0  0  0  0
    7.8506    0.1913    1.3673 H   0  0  0  0  0
    7.6981   -0.2815   -0.3295 H   0  0  0  0  0
   10.0977    0.0881    0.5041 H   0  0  0  0  0
    9.6661    0.9531   -0.9702 H   0  0  0  0  0
    9.6820    2.1572    1.8446 H   0  0  0  0  0
   10.9171    2.4272    0.6166 H   0  0  0  0  0
    9.1509    4.2794    0.8483 H   0  0  0  0  0
    9.4160    3.6728   -0.7947 H   0  0  0  0  0
    5.8532    5.5779   -1.0955 H   0  0  0  0  0
    7.6028    5.4805   -0.8864 H   0  0  0  0  0
    6.8316    7.9883   -0.3206 H   0  0  0  0  0
    6.6757    9.5126    1.5899 H   0  0  0  0  0
    6.0185    6.1770    4.2110 H   0  0  0  0  0
    6.1667    4.6391    2.3268 H   0  0  0  0  0
    6.4365    8.4194    5.0329 H   0  0  0  0  0
    6.7010    9.7280    4.0065 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL368783

>  <PubChem CID>
44386665

>  <Formula>
C20H22N2O

>  <Molecular Weight>
306.409000

>  <IUPAC Name>
4-[(6-methoxy-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]aniline

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4=CC=C(C=C4)N

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4=CC=C(C=C4)N

>  <InChI Std. ID>
InChI=1S/C20H22N2O/c1-23-16-10-11-20-18(12-16)17-4-2-3-5-19(17)22(20)13-14-6-8-15(21)9-7-14/h6-12H,2-5,13,21H2,1H3

>  <InChI Key>
ADOJHSKLRYYKAN-UHFFFAOYSA-N

