
 CHEMBL1788282

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0654   -0.8766   -3.5300 C   0  0  0  0  0
    2.9729   -0.1683   -2.7267 C   0  0  0  0  0
    2.8556   -0.7076   -1.2843 C   0  0  0  0  0
    2.4086   -2.1359   -1.2065 C   0  0  0  0  0
    3.2302   -3.2422   -1.1044 C   0  0  0  0  0
    2.4448   -4.3611   -1.0708 N   0  0  0  0  0
    1.1159   -4.0122   -1.1285 C   0  0  0  0  0
    1.0606   -2.6211   -1.2097 C   0  0  0  0  0
   -0.2049   -2.0065   -1.2740 C   0  0  0  0  0
   -1.3572   -2.8039   -1.2530 C   0  0  0  0  0
   -1.2767   -4.1952   -1.1767 C   0  0  0  0  0
   -0.0292   -4.8248   -1.1133 C   0  0  0  0  0
   -2.4902   -4.8325   -1.1687 O   0  0  0  0  0
   -2.4696   -6.2536   -1.1259 C   0  0  0  0  0
    3.2790    1.2716   -2.7199 N   0  0  0  0  0
    4.1789   -0.4248   -4.5221 H   0  0  0  0  0
    3.8201   -1.9316   -3.6872 H   0  0  0  0  0
    5.0356   -0.8249   -3.0230 H   0  0  0  0  0
    2.0179   -0.3035   -3.2483 H   0  0  0  0  0
    2.1409   -0.0909   -0.7227 H   0  0  0  0  0
    3.8179   -0.6005   -0.7656 H   0  0  0  0  0
    4.3083   -3.3253   -1.0645 H   0  0  0  0  0
    2.7859   -5.3100   -1.0073 H   0  0  0  0  0
   -0.2954   -0.9264   -1.3356 H   0  0  0  0  0
   -2.3336   -2.3270   -1.2985 H   0  0  0  0  0
    0.0766   -5.9002   -1.0505 H   0  0  0  0  0
   -3.5062   -6.6039   -1.1382 H   0  0  0  0  0
   -2.0081   -6.6144   -0.2007 H   0  0  0  0  0
   -1.9681   -6.6684   -2.0067 H   0  0  0  0  0
    4.1641    1.4326   -2.2401 H   0  0  0  0  0
    2.5691    1.7698   -2.1845 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>
CHEMBL1788282

>  <PubChem CID>
899056

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

>  <IUPAC Name>
(2S)-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-/m0/s1

>  <InChI Key>
CMYKARMYSPCRCF-QMMMGPOBSA-N

