chempirical

3-Bromo-N-methylbenzenamine

C7H8BrNCAS 66584-32-5186.05 g/mol

Open in Covalent MOL file
HNBr
Aryl halideSecondary amine

Properties

Molecular formula
C7H8BrN
Molar mass
186.05 g/mol
Exact mass
184.9840 Da
Boiling point
253 °C
logP
2.49Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
66584-32-5
SMILES
CNc1cccc(Br)c1
InChIKey
HKOSFZXROYRVJT-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 3-bromo-N-methyl-
  • 3-Bromo-N-methylaniline
  • N-(3-Bromophenyl)-N-methylamine
  • (3-Bromophenyl)methylamine
  • N-Methyl-3-bromoaniline
  • (3-Bromophenyl)-N-methylamine

Work with 3-Bromo-N-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,3-Dimethylaniline696-44-654 % similar 3-Bromophenylhydrazine hydrochloride27246-81-753 % similar 1,3-Dibromobenzene108-36-152 % similar N-Methylaniline100-61-848 % similar 1-Bromo-3-fluorobenzene1073-06-943 % similar 1-Bromo-3-chlorobenzene108-37-243 % similar 3-Bromo-N,N-dimethylaniline16518-62-042 % similar 3-Bromoanisole2398-37-042 % 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 3-Bromo-2-methylaniline55289-36-6 2-Bromo-4-methylaniline583-68-6

Elsewhere

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