
 5-Bromo-N,N-dimethyltryptamine

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.9225   -0.8296    1.1829 C   0  0  0  0  0
    2.5652   -0.1038   -0.0380 N   0  0  0  0  0
    1.1176   -0.1899   -0.2536 C   0  0  0  0  0
    2.9756    1.3147    0.0254 C   0  0  0  0  0
    4.5008    1.5241    0.0187 C   0  0  0  0  0
    4.8675    2.9783    0.0399 C   0  0  0  0  0
    5.1137    3.7777   -1.0591 C   0  0  0  0  0
    5.4126    5.0377   -0.6173 N   0  0  0  0  0
    5.3677    5.0844    0.7565 C   0  0  0  0  0
    5.0285    3.8048    1.1987 C   0  0  0  0  0
    4.9162    3.5791    2.5866 C   0  0  0  0  0
    5.1486    4.6393    3.4683 C   0  0  0  0  0
    5.4859    5.9070    3.0014 C   0  0  0  0  0
    5.6016    6.1534    1.6300 C   0  0  0  0  0
    5.0024    4.3414    5.3320 Br  0  0  0  0  0
    4.0084   -0.9010    1.2977 H   0  0  0  0  0
    2.5580   -1.8625    1.1380 H   0  0  0  0  0
    2.5061   -0.3591    2.0809 H   0  0  0  0  0
    0.8014   -1.2358   -0.3387 H   0  0  0  0  0
    0.8377    0.2963   -1.1950 H   0  0  0  0  0
    0.5498    0.2773    0.5596 H   0  0  0  0  0
    2.5322    1.8036    0.9035 H   0  0  0  0  0
    2.5714    1.8350   -0.8541 H   0  0  0  0  0
    4.9339    1.0525   -0.8727 H   0  0  0  0  0
    4.9644    1.0389    0.8851 H   0  0  0  0  0
    5.1014    3.5533   -2.1177 H   0  0  0  0  0
    5.6367    5.8247   -1.2108 H   0  0  0  0  0
    4.6551    2.5937    2.9589 H   0  0  0  0  0
    5.6641    6.7203    3.7007 H   0  0  0  0  0
    5.8651    7.1401    1.2629 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  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 28  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
M  END

>  <Chemical Name>
5-Bromo-N,N-dimethyltryptamine

>  <PubChem CID>
360252

>  <Formula>
C12H15BrN2

>  <Molecular Weight>
267.170000

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

>  <XlogP>
2.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3

>  <InChI Key>
ATEYZYQLBQUZJE-UHFFFAOYSA-N

