chempirical

2-Bromo-3-methylbenzenamine

C7H8BrNCAS 54879-20-8186.05 g/mol

Open in Covalent MOL file
NH2Br
Aryl halidePrimary amine

Properties

Molecular formula
C7H8BrN
Molar mass
186.05 g/mol
Exact mass
184.9840 Da
Boiling point
145–148 °C (at 45 Torr)
logP
2.34Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
54879-20-8
SMILES
Cc1cccc(N)c1Br
InChIKey
VJNUZLYTGSGDHR-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, 2-bromo-3-methyl-
  • 2-Bromo-m-toluidine
  • 2-Bromo-3-methylaniline
  • 2-Bromo-3-methylphenylamine

Work with 2-Bromo-3-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

2-Bromo-1,3-dimethylbenzene576-22-765 % similar 2,3-Xylidine87-59-258 % similar O-Toluidine95-53-456 % similar 2,3-Diaminotoluene2687-25-456 % similar 2-Bromo-3-fluoroaniline111721-75-652 % similar 2-Amino-6-methylphenol17672-22-952 % similar 2-Bromo-1-fluoro-3-methylbenzene59907-13-052 % similar O-Toluidinium chloride636-21-550 % 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 5-Bromo-2-methylbenzenamine39478-78-9 4-Bromobenzenemethanamine3959-07-7 3-Bromo-2-methylaniline55289-36-6 2-Bromo-4-methylaniline583-68-6 4-Bromo-2-methylaniline583-75-5

Elsewhere

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