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2D Structure
Also known as: 6933-10-4, 4-bromo-m-toluidine, 5-amino-2-bromotoluene, Benzenamine, 4-bromo-3-methyl-, 3-methyl-4-bromoaniline, 4-bromo-3-methyl-phenylamine
Molecular Formula
C7H8BrN
Molecular Weight
186.05  g/mol
InChI Key
MMEGELSFOYDPQW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-3-methylaniline
2.1.2 InChI
InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
2.1.3 InChI Key
MMEGELSFOYDPQW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)N)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6933-10-4

2. 4-bromo-m-toluidine

3. 5-amino-2-bromotoluene

4. Benzenamine, 4-bromo-3-methyl-

5. 3-methyl-4-bromoaniline

6. 4-bromo-3-methyl-phenylamine

7. 4-bromo-3-methylbenzenamine

8. 4-bromo-3-methyl-aniline

9. Mfcd00007828

10. 4-bromo3-methylaniline

11. 2-bromo-5-aminotoluene

12. M-toluidine, 4-bromo-

13. 4-bromo-3-methyl Aniline

14. 4- Bromo-3-methyl-aniline

15. Schembl114855

16. (4-bromo-3-methylphenyl)amine

17. 4-bromo-3-methylaniline, 97%

18. Mmegelsfoydpqw-uhfffaoysa-

19. Dtxsid10219383

20. Zinc152873

21. Act11538

22. Einecs 230-056-3

23. Stl169146

24. Akos000119547

25. Ac-3718

26. Am61648

27. Cs-w007472

28. Ps-3030

29. Bp-10165

30. Db-023646

31. Ft-0612048

32. A19787

33. O11182

34. W-204300

35. F2190-0485

36. Z1250100730

37. N-methyl-gamma-(2-methylphenoxy)benzenepropanaminehydrochloride

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 186.05 g/mol
Molecular Formula C7H8BrN
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass184.98401 g/mol
Monoisotopic Mass184.98401 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1