5-Bromo-N,N-Dimethyltryptamine
PubChem CID: 360252
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| Compound Synonyms | 5-Bromo-N,N-dimethyltryptamine, 17274-65-6, 5-Bromo-DMT, 5-Bromodimethyltryptamine, 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine, 2F81I6UW8C, 5-Bromo-N,N-dimethyl-tryptamine, UNII-2F81I6UW8C, NSC-622272, 1H-Indole-3-ethanamine, 5-bromo-N,N-dimethyl-, DTXSID90326928, (2-(5-Bromo-1H-indol-3-yl)ethyl)dimethylamine, [2-(5-bromo-1H-indol-3-yl)ethyl]dimethylamine, 5-Bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole, MFCD00209920, NSC622272, 5-bromo-dimethyltryptamin, SCHEMBL517473, CHEMBL403031, DTXCID60278041, ATEYZYQLBQUZJE-UHFFFAOYSA-N, AKOS015909321, SB34242, PD143294, DB-081193, CS-0341052, 5-bromo-3-[2-(dimethylamino)ethyl]-1h-indole, F16456, EN300-7414162, [2-(5-Bromo-1H-indol-3-yl)-ethyl]-dimethyl-amine, [2-(5-Bromo-1H-indol-3-yl)-ethyl]-dimethylamine, [2-(5-bromo-1H-indol-3-yl)-ethyl]dimethyl-amine, [2-(5-bromo-1H-indol-3-yl)ethyl]-dimethyl-amine, 5-Bromo-3-[2-(N,N-dimethylamino)ethyl]-1 H-indole, Q10859493 |
|---|---|
| Topological Polar Surface Area | 19.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25929, P25101 |
| Iupac Name | 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C12H15BrN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATEYZYQLBQUZJE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.847 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.832 |
| Compound Name | 5-Bromo-N,N-Dimethyltryptamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.042 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 267.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9537539999999995 |
| 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 |
| Smiles | CN(C)CCC1=CNC2=C1C=C(C=C2)Br |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bryopsis Pennata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all