
 1H-Indol-4-ol, 3-(2-aminopropyl)-, (R)- (9CI)

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.4883   -0.8221    1.1752 C   0  0  0  0  0
    2.2335   -0.3547    0.4376 C   0  0  0  0  0
    2.1163   -0.9661   -0.9772 C   0  0  0  0  0
    1.8454   -2.4427   -1.0244 C   0  0  0  0  0
    2.7985   -3.4425   -1.0766 C   0  0  0  0  0
    2.1572   -4.6479   -1.1427 N   0  0  0  0  0
    0.7947   -4.4629   -1.1519 C   0  0  0  0  0
    0.5611   -3.0885   -1.0639 C   0  0  0  0  0
   -0.7810   -2.6466   -1.0405 C   0  0  0  0  0
   -1.8270   -3.5727   -1.1232 C   0  0  0  0  0
   -1.5528   -4.9354   -1.2216 C   0  0  0  0  0
   -0.2374   -5.4070   -1.2324 C   0  0  0  0  0
   -1.0687   -1.3073   -0.9225 O   0  0  0  0  0
    1.0539   -0.6007    1.2801 N   0  0  0  0  0
    3.6068   -0.2806    2.1212 H   0  0  0  0  0
    4.3840   -0.6332    0.5740 H   0  0  0  0  0
    3.4560   -1.8921    1.4085 H   0  0  0  0  0
    2.3166    0.7316    0.3109 H   0  0  0  0  0
    3.0414   -0.7589   -1.5322 H   0  0  0  0  0
    1.3258   -0.4414   -1.5281 H   0  0  0  0  0
    3.8795   -3.3933   -1.0750 H   0  0  0  0  0
    2.6134   -5.5478   -1.1909 H   0  0  0  0  0
   -2.8625   -3.2473   -1.1103 H   0  0  0  0  0
   -2.3742   -5.6459   -1.2880 H   0  0  0  0  0
   -0.0292   -6.4699   -1.3052 H   0  0  0  0  0
   -2.0324   -1.1978   -0.9636 H   0  0  0  0  0
    1.0171   -1.6013    1.4887 H   0  0  0  0  0
    0.2210   -0.4585    0.6987 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  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 13  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
1H-Indol-4-ol, 3-(2-aminopropyl)-, (R)- (9CI)

>  <PubChem CID>
14083215

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
3-[(2R)-2-aminopropyl]-1H-indol-4-ol

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1

>  <InChI Key>
BYMNOLWNRCZVLJ-SSDOTTSWSA-N

