
 6-Methoxytryptamine

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.7049   -0.4330    0.3592 C   0  0  0  0  0
    3.0915   -0.1881    0.1627 O   0  0  0  0  0
    3.5010    1.1194    0.1957 C   0  0  0  0  0
    4.8724    1.2950   -0.0279 C   0  0  0  0  0
    5.3870    2.5974   -0.0165 C   0  0  0  0  0
    4.5897    3.7183    0.2092 C   0  0  0  0  0
    3.2130    3.5231    0.4362 C   0  0  0  0  0
    2.6818    2.2238    0.4263 C   0  0  0  0  0
    5.4388    4.8696    0.1474 C   0  0  0  0  0
    6.7162    4.4105   -0.1119 C   0  0  0  0  0
    6.6718    3.0458   -0.2079 N   0  0  0  0  0
    5.0262    6.2980    0.3263 C   0  0  0  0  0
    5.0721    6.7329    1.7956 C   0  0  0  0  0
    4.6602    8.1289    1.9567 N   0  0  0  0  0
    1.5442   -1.5135    0.2950 H   0  0  0  0  0
    1.1049    0.0395   -0.4256 H   0  0  0  0  0
    1.3836   -0.1078    1.3541 H   0  0  0  0  0
    5.5130    0.4374   -0.2076 H   0  0  0  0  0
    2.5610    4.3732    0.6164 H   0  0  0  0  0
    1.6169    2.1174    0.6035 H   0  0  0  0  0
    7.6508    4.9404   -0.2387 H   0  0  0  0  0
    7.4644    2.4469   -0.3955 H   0  0  0  0  0
    4.0136    6.4382   -0.0729 H   0  0  0  0  0
    5.6857    6.9406   -0.2716 H   0  0  0  0  0
    6.0862    6.6115    2.1943 H   0  0  0  0  0
    4.4107    6.0993    2.3975 H   0  0  0  0  0
    5.3039    8.7339    1.4479 H   0  0  0  0  0
    4.7444    8.3880    2.9392 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  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 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>
6-Methoxytryptamine

>  <PubChem CID>
17654

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
2-(6-methoxy-1H-indol-3-yl)ethanamine

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C(=CN2)CCN

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C(=CN2)CCN

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

>  <InChI Key>
VOCGEKMEZOPDFP-UHFFFAOYSA-N

