
 5-METHOXYTRYPTAMINE

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.6572   -0.0115    0.2616 C   0  0  0  0  0
    3.0709    0.1416    0.2392 O   0  0  0  0  0
    3.5524    1.4225    0.1598 C   0  0  0  0  0
    2.7756    2.5860    0.1133 C   0  0  0  0  0
    3.4086    3.8474    0.0276 C   0  0  0  0  0
    4.8017    3.8942   -0.0041 C   0  0  0  0  0
    5.5986    2.7469    0.0433 C   0  0  0  0  0
    4.9449    1.5133    0.1252 C   0  0  0  0  0
    5.1614    5.2188   -0.0880 N   0  0  0  0  0
    4.0464    6.0119   -0.1109 C   0  0  0  0  0
    2.9325    5.1976   -0.0412 C   0  0  0  0  0
    1.5041    5.6478   -0.0415 C   0  0  0  0  0
    0.9663    5.8662    1.3780 C   0  0  0  0  0
   -0.4235    6.3248    1.3620 N   0  0  0  0  0
    1.4389   -1.0822    0.3147 H   0  0  0  0  0
    1.2028    0.3752   -0.6564 H   0  0  0  0  0
    1.2236    0.4610    1.1489 H   0  0  0  0  0
    1.6934    2.5543    0.1388 H   0  0  0  0  0
    6.6813    2.8010    0.0161 H   0  0  0  0  0
    5.5378    0.6016    0.1615 H   0  0  0  0  0
    6.1150    5.5508   -0.1295 H   0  0  0  0  0
    4.1387    7.0876   -0.1776 H   0  0  0  0  0
    0.8864    4.9071   -0.5641 H   0  0  0  0  0
    1.4218    6.5794   -0.6159 H   0  0  0  0  0
    1.5805    6.6058    1.9059 H   0  0  0  0  0
    1.0232    4.9324    1.9498 H   0  0  0  0  0
   -0.4783    7.2239    0.8852 H   0  0  0  0  0
   -0.7276    6.4943    2.3199 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 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  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>
5-METHOXYTRYPTAMINE

>  <PubChem CID>
1833

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
2-(5-methoxy-1H-indol-3-yl)ethanamine

>  <XlogP>
0.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)NC=C2CCN

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)NC=C2CCN

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

>  <InChI Key>
JTEJPPKMYBDEMY-UHFFFAOYSA-N

