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

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.0615    1.1727   -2.5683 C   0  0  0  0  0
    2.5950   -0.2798   -2.6498 C   0  0  0  0  0
    2.4868   -0.8863   -1.2323 C   0  0  0  0  0
    2.0656   -2.3265   -1.2215 C   0  0  0  0  0
    2.9083   -3.4199   -1.2794 C   0  0  0  0  0
    2.1452   -4.5542   -1.2432 N   0  0  0  0  0
    0.8111   -4.2295   -1.1620 C   0  0  0  0  0
    0.7240   -2.8353   -1.1434 C   0  0  0  0  0
   -0.5619   -2.2534   -1.0651 C   0  0  0  0  0
   -1.6985   -3.0677   -1.0080 C   0  0  0  0  0
   -1.5702   -4.4548   -1.0283 C   0  0  0  0  0
   -0.3136   -5.0621   -1.1057 C   0  0  0  0  0
   -0.7057   -0.8858   -1.0614 O   0  0  0  0  0
    1.3237   -0.3094   -3.3911 N   0  0  0  0  0
    3.1797    1.6040   -3.5688 H   0  0  0  0  0
    4.0308    1.2401   -2.0631 H   0  0  0  0  0
    2.3486    1.7940   -2.0145 H   0  0  0  0  0
    3.3329   -0.8468   -3.2302 H   0  0  0  0  0
    1.7985   -0.2947   -0.6166 H   0  0  0  0  0
    3.4653   -0.8078   -0.7385 H   0  0  0  0  0
    3.9866   -3.4837   -1.3432 H   0  0  0  0  0
    2.5038   -5.4982   -1.2720 H   0  0  0  0  0
   -2.6924   -2.6342   -0.9537 H   0  0  0  0  0
   -2.4613   -5.0775   -0.9865 H   0  0  0  0  0
   -0.2199   -6.1433   -1.1231 H   0  0  0  0  0
   -1.6453   -0.6790   -0.9290 H   0  0  0  0  0
    0.5796   -0.0135   -2.7505 H   0  0  0  0  0
    1.0908   -1.2903   -3.5649 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)-, (S)- (9CI)

>  <PubChem CID>
14083214

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
3-[(2S)-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-/m0/s1

>  <InChI Key>
BYMNOLWNRCZVLJ-ZETCQYMHSA-N

