
 2-Methyl-5-hydroxytryptamine

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2453    1.1587   -0.4139 C   0  0  0  0  0
    2.6861    0.8193   -0.2920 C   0  0  0  0  0
    3.3174   -0.4084   -0.1580 C   0  0  0  0  0
    4.7256   -0.1522   -0.0809 C   0  0  0  0  0
    4.9052    1.2275   -0.1693 C   0  0  0  0  0
    3.6576    1.7891   -0.2969 N   0  0  0  0  0
    6.1672    1.8343   -0.1244 C   0  0  0  0  0
    7.2835    1.0036    0.0166 C   0  0  0  0  0
    7.1263   -0.3747    0.1054 C   0  0  0  0  0
    5.8655   -0.9703    0.0576 C   0  0  0  0  0
    8.2057   -1.2006    0.2446 O   0  0  0  0  0
    2.6566   -1.7538   -0.1028 C   0  0  0  0  0
    2.5332   -2.3939   -1.4903 C   0  0  0  0  0
    1.8995   -3.7127   -1.4209 N   0  0  0  0  0
    0.8141    0.6751   -1.2960 H   0  0  0  0  0
    1.0906    2.2381   -0.5101 H   0  0  0  0  0
    0.6982    0.8164    0.4701 H   0  0  0  0  0
    3.4866    2.7816   -0.3797 H   0  0  0  0  0
    6.2804    2.9110   -0.1942 H   0  0  0  0  0
    8.2694    1.4564    0.0550 H   0  0  0  0  0
    5.7712   -2.0485    0.1310 H   0  0  0  0  0
    9.0074   -0.6545    0.2853 H   0  0  0  0  0
    1.6618   -1.6553    0.3501 H   0  0  0  0  0
    3.2309   -2.4120    0.5616 H   0  0  0  0  0
    3.5226   -2.4972   -1.9512 H   0  0  0  0  0
    1.9362   -1.7518   -2.1480 H   0  0  0  0  0
    2.4796   -4.3360   -0.8597 H   0  0  0  0  0
    1.8747   -4.1170   -2.3563 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 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>
2-Methyl-5-hydroxytryptamine

>  <PubChem CID>
1574

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
3-(2-aminoethyl)-2-methyl-1H-indol-5-ol

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)O)CCN

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)O)CCN

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

>  <InChI Key>
WYWNEDARFVJQSG-UHFFFAOYSA-N

