
 CHEMBL3753704

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.5045   -0.0684   -0.7292 C   0  0  0  0  0
    2.8594   -0.1293   -0.0126 C   0  0  0  0  0
    3.7454   -1.1753   -0.6924 C   0  0  0  0  0
    4.5996   -0.7716   -1.7400 C   0  0  0  0  0
    5.4362   -1.6759   -2.3812 C   0  0  0  0  0
    5.4168   -3.0149   -2.0098 C   0  0  0  0  0
    4.5526   -3.4697   -1.0048 C   0  0  0  0  0
    4.5330   -4.8366   -0.6797 C   0  0  0  0  0
    3.6741   -5.3315    0.2985 C   0  0  0  0  0
    2.8255   -4.4621    0.9672 C   0  0  0  0  0
    2.8389   -3.0978    0.6599 C   0  0  0  0  0
    3.6976   -2.5579   -0.3299 C   0  0  0  0  0
    3.4331    1.2337    0.0058 N   0  0  0  0  0
    4.5628    1.3383    0.9298 C   0  0  0  0  0
    5.0410    2.7487    0.9414 C   0  0  0  0  0
    5.1987    3.6443    1.9810 C   0  0  0  0  0
    5.7080    4.8575    1.4436 C   0  0  0  0  0
    5.8511    4.6725    0.0695 C   0  0  0  0  0
    5.4392    3.3890   -0.2079 N   0  0  0  0  0
    6.3328    5.6766   -0.7785 C   0  0  0  0  0
    6.6638    6.9159   -0.2149 C   0  0  0  0  0
    6.5432    7.1200    1.1596 C   0  0  0  0  0
    6.0658    6.1008    1.9973 C   0  0  0  0  0
    7.1185    7.8455   -1.1152 O   0  0  0  0  0
    7.0971    9.2011   -0.6839 C   0  0  0  0  0
    0.8205    0.6181   -0.2164 H   0  0  0  0  0
    1.0215   -1.0513   -0.7537 H   0  0  0  0  0
    1.6096    0.2718   -1.7661 H   0  0  0  0  0
    2.6784   -0.4140    1.0297 H   0  0  0  0  0
    4.6205    0.2708   -2.0550 H   0  0  0  0  0
    6.1005   -1.3382   -3.1719 H   0  0  0  0  0
    6.0777   -3.7079   -2.5251 H   0  0  0  0  0
    5.1878   -5.5342   -1.1975 H   0  0  0  0  0
    3.6660   -6.3929    0.5310 H   0  0  0  0  0
    2.1472   -4.8408    1.7278 H   0  0  0  0  0
    2.1464   -2.4649    1.2069 H   0  0  0  0  0
    2.7159    1.8839    0.3288 H   0  0  0  0  0
    5.3936    0.6925    0.6234 H   0  0  0  0  0
    4.2632    1.0451    1.9415 H   0  0  0  0  0
    4.9753    3.4485    3.0208 H   0  0  0  0  0
    5.4039    2.9748   -1.1305 H   0  0  0  0  0
    6.4382    5.5119   -1.8460 H   0  0  0  0  0
    6.8219    8.0612    1.6213 H   0  0  0  0  0
    5.9751    6.2712    3.0657 H   0  0  0  0  0
    7.3429    9.8293   -1.5454 H   0  0  0  0  0
    7.8539    9.3826    0.0849 H   0  0  0  0  0
    6.1005    9.4909   -0.3340 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 23  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
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 25 46  1  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753704

>  <PubChem CID>
57385841

>  <Formula>
C22H22N2O

>  <Molecular Weight>
330.431000

>  <IUPAC Name>
(1R)-N-[(6-methoxy-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=C(C=C4)OC

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H22N2O/c1-15(20-9-5-7-16-6-3-4-8-21(16)20)23-14-18-12-17-10-11-19(25-2)13-22(17)24-18/h3-13,15,23-24H,14H2,1-2H3/t15-/m1/s1

>  <InChI Key>
AZVXSXOVUUPGIZ-OAHLLOKOSA-N

