
 CHEMBL1744073

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0801   -0.7466   -3.4656 C   0  0  0  0  0
    3.1159   -0.1205   -2.4564 C   0  0  0  0  0
    3.1252   -0.8582   -1.1003 C   0  0  0  0  0
    2.5580   -2.2440   -1.1620 C   0  0  0  0  0
    3.2756   -3.4158   -1.3094 C   0  0  0  0  0
    2.3949   -4.4630   -1.3212 N   0  0  0  0  0
    1.1094   -4.0030   -1.1651 C   0  0  0  0  0
    1.1775   -2.6145   -1.0630 C   0  0  0  0  0
   -0.0248   -1.8996   -0.8924 C   0  0  0  0  0
   -1.2449   -2.5916   -0.8266 C   0  0  0  0  0
   -1.2845   -3.9811   -0.9315 C   0  0  0  0  0
   -0.0998   -4.7069   -1.1053 C   0  0  0  0  0
   -2.4126   -4.7576   -0.8798 O   0  0  0  0  0
   -3.6512   -4.0832   -0.7006 C   0  0  0  0  0
    3.4952    1.2913   -2.2840 N   0  0  0  0  0
    4.1046   -0.1680   -4.3963 H   0  0  0  0  0
    3.7722   -1.7634   -3.7295 H   0  0  0  0  0
    5.1016   -0.7929   -3.0711 H   0  0  0  0  0
    2.1059   -0.1437   -2.8823 H   0  0  0  0  0
    2.5422   -0.2826   -0.3684 H   0  0  0  0  0
    4.1484   -0.9004   -0.7030 H   0  0  0  0  0
    4.3381   -3.5908   -1.4143 H   0  0  0  0  0
    2.6456   -5.4366   -1.4227 H   0  0  0  0  0
   -0.0132   -0.8170   -0.8087 H   0  0  0  0  0
   -2.1472   -2.0048   -0.6912 H   0  0  0  0  0
   -0.1264   -5.7889   -1.1877 H   0  0  0  0  0
   -4.4426   -4.8387   -0.6798 H   0  0  0  0  0
   -3.8580   -3.4081   -1.5375 H   0  0  0  0  0
   -3.6760   -3.5496    0.2552 H   0  0  0  0  0
    4.4328    1.3495   -1.8876 H   0  0  0  0  0
    2.8722    1.7326   -1.6090 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1744073

>  <PubChem CID>
899057

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

>  <IUPAC Name>
(2R)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine

>  <XlogP>
2.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1=CNC2=C1C=CC(=C2)OC)N

>  <Isomeric SMILES>
C[C@H](CC1=CNC2=C1C=CC(=C2)OC)N

>  <InChI Std. ID>
InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1

>  <InChI Key>
CMYKARMYSPCRCF-MRVPVSSYSA-N

