chempirical

5-Bromo-2-methylbenzenamine

C7H8BrNCAS 39478-78-9186.05 g/mol

Open in Covalent MOL file
BrH2N
Aryl halidePrimary amine

Properties

Molecular formula
C7H8BrN
Molar mass
186.05 g/mol
Exact mass
184.9840 Da
Melting point
33 °C
Boiling point
139 °C (at 17 Torr)
logP
2.34Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
39478-78-9
SMILES
Cc1ccc(Br)cc1N
InChIKey
RXQNKKRGJJRMKD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenamine, 5-bromo-2-methyl-
  • 2-Amino-4-bromotoluene
  • 2-Methyl-5-bromoaniline
  • 5-Bromo-2-methylaniline
  • 3-Bromo-6-methylaniline
  • 5-Bromo-2-methylphenylamine

Work with 5-Bromo-2-methylbenzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1,2-benzenediamine1575-37-760 % similar 3-Amino-4-methylphenol2836-00-257 % similar 4-Bromo-2-iodoaniline66416-72-657 % similar 2,4-Dibromo-1-methylbenzene31543-75-656 % similar 2,5-Dibromoaniline3638-73-156 % similar 2,5-Xylidine95-78-356 % similar 5-Iodo-2-methylaniline83863-33-654 % similar 5-Bromo-2-fluorobenzenamine2924-09-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromobenzylamine10269-01-9 4-Bromo-2,3-dimethylpyridine259807-91-5 3-Bromo-2,4-dimethylpyridine27063-93-0 4-Bromobenzenemethanamine3959-07-7 2-Bromo-3-methylbenzenamine54879-20-8 3-Bromo-2-methylaniline55289-36-6 2-Bromo-4-methylaniline583-68-6 4-Bromo-2-methylaniline583-75-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook