chempirical

3-Bromo-2-methylaniline

C7H8BrNCAS 55289-36-6186.05 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
130 °C (at 16 Torr)
logP
2.34Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
55289-36-6
SMILES
Cc1c(N)cccc1Br
InChIKey
IILVSKMKMOJHMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-5-6(8)3-2-4-7(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, 3-bromo-2-methyl-
  • 3-Bromo-2-methylbenzenamine
  • 2-Amino-6-bromotoluene
  • (3-Bromo-2-methylphenyl)amine
  • 2-Methyl-3-bromoaniline
  • 1-Bromo-2-methyl-3-aminobenzene

Work with 3-Bromo-2-methylaniline

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

2,6-Diaminotoluene823-40-567 % similar 2-Bromoaniline615-36-157 % similar 1-Bromo-2,3-dimethylbenzene576-23-856 % similar 2,3-Xylidine87-59-256 % similar 2-Bromo-6-chlorotoluene62356-27-854 % similar 3-Chloro-2-methylaniline87-60-554 % similar 2-Amino-6-bromoanisole116557-46-154 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-452 % 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 2-Bromo-3-methylbenzenamine54879-20-8 2-Bromo-4-methylaniline583-68-6 4-Bromo-2-methylaniline583-75-5

Elsewhere

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