
 CHEMBL3753132

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.4676   -0.9382   -0.7349 C   0  0  0  0  0
    3.1207   -0.2083    0.4451 C   0  0  0  0  0
    3.8676   -1.1895    1.3335 C   0  0  0  0  0
    3.4516   -1.3924    2.6592 C   0  0  0  0  0
    4.1593   -2.2590    3.4931 C   0  0  0  0  0
    5.2821   -2.9369    3.0242 C   0  0  0  0  0
    5.7014   -2.7478    1.7085 C   0  0  0  0  0
    4.9998   -1.8803    0.8694 C   0  0  0  0  0
    3.5952   -2.5047    5.2812 Br  0  0  0  0  0
    3.9977    0.8528   -0.0768 N   0  0  0  0  0
    4.4842    1.7296    0.9886 C   0  0  0  0  0
    5.3101    2.8114    0.3885 C   0  0  0  0  0
    5.2792    4.1810    0.5555 C   0  0  0  0  0
    6.3210    4.7436   -0.2325 C   0  0  0  0  0
    6.7770    6.0565   -0.4583 C   0  0  0  0  0
    7.8623    6.2662   -1.3169 C   0  0  0  0  0
    8.4887    5.1920   -1.9459 C   0  0  0  0  0
    8.0531    3.8796   -1.7372 C   0  0  0  0  0
    6.9687    3.6879   -0.8737 C   0  0  0  0  0
    6.3373    2.5325   -0.4809 N   0  0  0  0  0
    1.8528   -0.2504   -1.3268 H   0  0  0  0  0
    1.8153   -1.7454   -0.3820 H   0  0  0  0  0
    3.2096   -1.3832   -1.4079 H   0  0  0  0  0
    2.3070    0.2573    1.0174 H   0  0  0  0  0
    2.5823   -0.8645    3.0440 H   0  0  0  0  0
    5.8380   -3.6072    3.6739 H   0  0  0  0  0
    6.5804   -3.2684    1.3372 H   0  0  0  0  0
    5.3494   -1.7264   -0.1498 H   0  0  0  0  0
    3.4607    1.4296   -0.7248 H   0  0  0  0  0
    5.1098    1.1824    1.7031 H   0  0  0  0  0
    3.6453    2.1699    1.5405 H   0  0  0  0  0
    4.5880    4.7246    1.1860 H   0  0  0  0  0
    6.2943    6.8981    0.0289 H   0  0  0  0  0
    8.2187    7.2780   -1.4926 H   0  0  0  0  0
    9.3308    5.3758   -2.6091 H   0  0  0  0  0
    8.5434    3.0449   -2.2269 H   0  0  0  0  0
    6.5723    1.5994   -0.7959 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753132

>  <PubChem CID>
57385594

>  <Formula>
C17H17BrN2

>  <Molecular Weight>
329.241000

>  <IUPAC Name>
1-(3-bromophenyl)-N-(1H-indol-2-ylmethyl)ethanamine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)Br)NCC2=CC3=CC=CC=C3N2

>  <Isomeric SMILES>
CC(C1=CC(=CC=C1)Br)NCC2=CC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C17H17BrN2/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-10,12,19-20H,11H2,1H3

>  <InChI Key>
AUQRZJZYAHXGGL-UHFFFAOYSA-N

