
 5-Benzyloxytryptamine

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.8043   -2.4217    1.6640 C   0  0  0  0  0
   -0.3622   -1.7931    0.5021 C   0  0  0  0  0
    0.9805   -1.8775    0.1304 C   0  0  0  0  0
    1.8998   -2.5822    0.9224 C   0  0  0  0  0
    1.4394   -3.2182    2.0848 C   0  0  0  0  0
    0.0949   -3.1343    2.4547 C   0  0  0  0  0
    3.3413   -2.7352    0.4886 C   0  0  0  0  0
    3.8113   -1.5066   -0.0715 O   0  0  0  0  0
    5.1268   -1.5008   -0.4531 C   0  0  0  0  0
    5.7903   -0.2795   -0.2827 C   0  0  0  0  0
    7.1416   -0.1540   -0.6658 C   0  0  0  0  0
    7.7754   -1.2609   -1.2293 C   0  0  0  0  0
    7.1255   -2.4830   -1.4312 C   0  0  0  0  0
    5.7856   -2.5825   -1.0352 C   0  0  0  0  0
    9.0652   -0.8843   -1.5208 N   0  0  0  0  0
    9.2721    0.4174   -1.1545 C   0  0  0  0  0
    8.0984    0.9109   -0.6182 C   0  0  0  0  0
    7.8793    2.2948   -0.0891 C   0  0  0  0  0
    8.1769    2.3919    1.4118 C   0  0  0  0  0
    7.9460    3.7451    1.9208 N   0  0  0  0  0
   -1.8506   -2.3587    1.9510 H   0  0  0  0  0
   -1.0617   -1.2399   -0.1185 H   0  0  0  0  0
    1.3102   -1.3887   -0.7845 H   0  0  0  0  0
    2.1240   -3.7868    2.7099 H   0  0  0  0  0
   -0.2515   -3.6290    3.3582 H   0  0  0  0  0
    3.3694   -3.5453   -0.2474 H   0  0  0  0  0
    3.9648   -2.9951    1.3529 H   0  0  0  0  0
    5.2617    0.5644    0.1500 H   0  0  0  0  0
    7.6319   -3.3258   -1.8907 H   0  0  0  0  0
    5.2732   -3.5199   -1.2266 H   0  0  0  0  0
    9.7562   -1.4866   -1.9458 H   0  0  0  0  0
   10.2351    0.8866   -1.3075 H   0  0  0  0  0
    6.8433    2.5992   -0.2855 H   0  0  0  0  0
    8.5178    2.9979   -0.6398 H   0  0  0  0  0
    9.2204    2.1174    1.6045 H   0  0  0  0  0
    7.5495    1.6881    1.9707 H   0  0  0  0  0
    6.9614    3.9852    1.8087 H   0  0  0  0  0
    8.1270    3.7571    2.9240 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
5-Benzyloxytryptamine

>  <PubChem CID>
89576

>  <Formula>
C17H18N2O

>  <Molecular Weight>
266.344000

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

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN

>  <InChI Std. ID>
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2

>  <InChI Key>
WKPDXBXNJWWWGQ-UHFFFAOYSA-N

