5-bromo-N,N-dimethyltryptamine - Compound Summary (CID 360252)
from three Florida sponges, namely, Verongula rigida (order Verongida, family Aplysinidae), Smenospongia aurea, and S. cerebriformis (order Dictyoceratida, family Thorectidae; structure in first source
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 267.1649 [g/mol] | | Molecular Formula | C12H15BrN2 | | XLogP3 | 2.2 | | H-Bond Donor | 1 | | H-Bond Acceptor | 2 | | Rotatable Bond Count | 3 | | Exact Mass | 266.041861 | | MonoIsotopic Mass | 266.041861 | | Topological Polar Surface Area | 19 | | Heavy Atom Count | 15 | | Formal Charge | 0 | | Complexity | 208 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)Br
InChI: 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
InChIKey: ATEYZYQLBQUZJE-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 8 Links Same structure: 7 Links Mixture: 1 LinkCategory: [for same structure substances]
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| Compound ID | 360252 |
| | Molecular Weight | 267.1649 [g/mol] |
| | Molecular Formula | C12H15BrN2 |
| | XLogP3 | 2.2 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 2 |
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Literature
