
 CHEMBL3753832

 40 42  0  0  0  0  0  0  0  0999 V2000
   -0.9778    0.1160    0.4521 C   0  0  0  0  0
    0.5018    0.0119    0.2301 C   0  0  0  0  0
    1.2869   -0.8573    0.9933 C   0  0  0  0  0
    2.6647   -0.9465    0.7743 C   0  0  0  0  0
    3.2865   -0.1719   -0.2163 C   0  0  0  0  0
    2.4906    0.6929   -0.9839 C   0  0  0  0  0
    1.1143    0.7840   -0.7620 C   0  0  0  0  0
    4.7886   -0.2789   -0.4297 C   0  0  0  0  0
    5.1054   -0.7839   -1.8422 C   0  0  0  0  0
    5.4936    0.9965   -0.2219 N   0  0  0  0  0
    5.5191    1.3855    1.1878 C   0  0  0  0  0
    6.2970    2.6467    1.3447 C   0  0  0  0  0
    6.1652    3.6864    2.2461 C   0  0  0  0  0
    7.1808    4.6430    1.9669 C   0  0  0  0  0
    7.5423    5.8805    2.5340 C   0  0  0  0  0
    8.6225    6.5903    1.9964 C   0  0  0  0  0
    9.3357    6.0852    0.9112 C   0  0  0  0  0
    8.9968    4.8571    0.3341 C   0  0  0  0  0
    7.9170    4.1589    0.8865 C   0  0  0  0  0
    7.3709    2.9462    0.5397 N   0  0  0  0  0
   -1.3006   -0.4946    1.3016 H   0  0  0  0  0
   -1.5165   -0.2281   -0.4365 H   0  0  0  0  0
   -1.2561    1.1537    0.6627 H   0  0  0  0  0
    0.8331   -1.4722    1.7673 H   0  0  0  0  0
    3.2496   -1.6290    1.3871 H   0  0  0  0  0
    2.9345    1.3074   -1.7634 H   0  0  0  0  0
    0.5214    1.4643   -1.3699 H   0  0  0  0  0
    5.2029   -1.0243    0.2624 H   0  0  0  0  0
    4.7773   -0.0836   -2.6183 H   0  0  0  0  0
    4.6111   -1.7435   -2.0313 H   0  0  0  0  0
    6.1835   -0.9366   -1.9665 H   0  0  0  0  0
    5.0096    1.7285   -0.7398 H   0  0  0  0  0
    5.9988    0.6060    1.7917 H   0  0  0  0  0
    4.5054    1.5411    1.5741 H   0  0  0  0  0
    5.4186    3.7530    3.0251 H   0  0  0  0  0
    6.9902    6.2809    3.3785 H   0  0  0  0  0
    8.9054    7.5457    2.4313 H   0  0  0  0  0
   10.1705    6.6528    0.5065 H   0  0  0  0  0
    9.5545    4.4647   -0.5096 H   0  0  0  0  0
    7.6835    2.3539   -0.2184 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753832

>  <PubChem CID>
57385845

>  <Formula>
C18H20N2

>  <Molecular Weight>
264.372000

>  <IUPAC Name>
(1R)-N-(1H-indol-2-ylmethyl)-1-(4-methylphenyl)ethanamine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC=C(C=C1)C(C)NCC2=CC3=CC=CC=C3N2

>  <Isomeric SMILES>
CC1=CC=C(C=C1)[C@@H](C)NCC2=CC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C18H20N2/c1-13-7-9-15(10-8-13)14(2)19-12-17-11-16-5-3-4-6-18(16)20-17/h3-11,14,19-20H,12H2,1-2H3/t14-/m1/s1

>  <InChI Key>
RXMOFAJOCZTOOI-CQSZACIVSA-N

