
 N,N-Dimethyl-5-methoxytryptamine

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.1277   -0.4058   -2.5554 C   0  0  0  0  0
    3.4980   -0.0515   -1.1820 N   0  0  0  0  0
    4.3881   -1.0781   -0.6343 C   0  0  0  0  0
    4.1220    1.2888   -1.1638 C   0  0  0  0  0
    4.3916    1.8364    0.2491 C   0  0  0  0  0
    5.0061    3.2038    0.2190 C   0  0  0  0  0
    4.3374    4.4077    0.3237 C   0  0  0  0  0
    5.2587    5.4183    0.2682 N   0  0  0  0  0
    6.5249    4.9011    0.1274 C   0  0  0  0  0
    6.3999    3.5134    0.0882 C   0  0  0  0  0
    7.5689    2.7309   -0.0561 C   0  0  0  0  0
    8.8163    3.3591   -0.1505 C   0  0  0  0  0
    8.8991    4.7515   -0.1015 C   0  0  0  0  0
    7.7591    5.5510    0.0372 C   0  0  0  0  0
   10.0215    2.7232   -0.2905 O   0  0  0  0  0
    9.9934    1.3037   -0.3636 C   0  0  0  0  0
    2.4122    0.3174   -2.9606 H   0  0  0  0  0
    2.6313   -1.3824   -2.5823 H   0  0  0  0  0
    3.9976   -0.4433   -3.2211 H   0  0  0  0  0
    3.9347   -2.0728   -0.7246 H   0  0  0  0  0
    4.5566   -0.9254    0.4369 H   0  0  0  0  0
    5.3597   -1.0979   -1.1424 H   0  0  0  0  0
    3.4438    1.9935   -1.6636 H   0  0  0  0  0
    5.0507    1.2849   -1.7484 H   0  0  0  0  0
    5.0682    1.1730    0.8006 H   0  0  0  0  0
    3.4539    1.8691    0.8181 H   0  0  0  0  0
    3.2845    4.6283    0.4390 H   0  0  0  0  0
    5.0465    6.4044    0.3271 H   0  0  0  0  0
    7.4661    1.6537   -0.0863 H   0  0  0  0  0
    9.8745    5.2285   -0.1719 H   0  0  0  0  0
    7.8405    6.6320    0.0743 H   0  0  0  0  0
   11.0241    0.9538   -0.4781 H   0  0  0  0  0
    9.4281    0.9644   -1.2382 H   0  0  0  0  0
    9.5952    0.8679    0.5589 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
M  END

>  <Chemical Name>
N,N-Dimethyl-5-methoxytryptamine

>  <PubChem CID>
1832

>  <Formula>
C13H18N2O

>  <Molecular Weight>
218.300000

>  <IUPAC Name>
2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3

>  <InChI Key>
ZSTKHSQDNIGFLM-UHFFFAOYSA-N

