CAS 17274-65-6

Chemistry

Chemistry

Also known as: 17274-65-6, 2-(5-bromo-1h-indol-3-yl)-n,n-dimethylethanamine, 5-bromo-dmt, 5-bromodimethyltryptamine, 1h-indole-3-ethanamine, 5-bromo-n,n-dimethyl-, Nsc-622272

Molecular Formula

C₁₂H₁₅BrN₂

Molecular Weight

267.16 g/mol

InChI Key

ATEYZYQLBQUZJE-UHFFFAOYSA-N

FDA UNII

2F81I6UW8C

5-Bromo-DMT is a natural product found in Hymeniacidon perlevis, Smenospongia aurea, and other organisms with data available.

1 2D Structure

CAS 17274-65-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine

2.1.2 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

2.1.3 InChI Key

ATEYZYQLBQUZJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)Br

2.2 Other Identifiers

2.2.1 UNII

2F81I6UW8C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 17274-65-6

2. 2-(5-bromo-1h-indol-3-yl)-n,n-dimethylethanamine

3. 5-bromo-dmt

4. 5-bromodimethyltryptamine

5. 1h-indole-3-ethanamine, 5-bromo-n,n-dimethyl-

6. Nsc-622272

7. 5-bromo-3-[2-(n,n-dimethylamino)ethyl]-1h-indole

8. 2f81i6uw8c

9. 5-bromo-n,n-dimethyl-tryptamine

10. 1h-indole-3-ethanamine,5-bromo-n,n-dimethyl-

11. (2-(5-bromo-1h-indol-3-yl)ethyl)dimethylamine

12. [2-(5-bromo-1h-indol-3-yl)ethyl]dimethylamine

13. Nsc622272

14. 5-bromo-dimethyltryptamin

15. Unii-2f81i6uw8c

16. Schembl517473

17. Ambz0357

18. Chembl403031

19. Dtxsid90326928

20. Zinc1616757

21. Mfcd00209920

22. Akos015909321

23. Am85630

24. Sb34242

25. Db-081193

26. Cs-0341052

27. 5-bromo-3-[2-(dimethylamino)ethyl]-1h-indole

28. F16456

29. [2-(5-bromo-1h-indol-3-yl)-ethyl]-dimethyl-amine

30. [2-(5-bromo-1h-indol-3-yl)-ethyl]-dimethylamine

31. [2-(5-bromo-1h-indol-3-yl)-ethyl]dimethyl-amine

32. [2-(5-bromo-1h-indol-3-yl)ethyl]-dimethyl-amine

33. 5-bromo-3-[2-(n,n-dimethylamino)ethyl]-1 H-indole

34. Q10859493

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅BrN₂
Molecular Weight	267.16 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	266.04186 g/mol
Monoisotopic Mass	266.04186 g/mol
Topological Polar Surface Area	19 Å²
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

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