3-Bromo-5-methylbenzenamine

C₇H₈BrNCAS 74586-53-1186.05 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈BrN
Molar mass: 186.05 g/mol
Exact mass: 184.9840 Da
Boiling point: 150–151 °C (at 15 Torr)
logP: 2.34Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

74586-53-1

SMILES

Cc1cc(N)cc(Br)c1

InChIKey

YIZRPAWCIFTHNA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3

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

Names and synonyms

3 names

Benzenamine, 3-bromo-5-methyl-
3-Bromo-5-methylaniline
(3-Bromo-5-methylphenyl)amine

Work with 3-Bromo-5-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

3,5-Xylidine108-69-064 % similar 3,5-Dibromotoluene1611-92-364 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-650 % similar 3-Chloro-5-methylbenzenamine29027-20-150 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-345 % similar M-Toluidine108-44-143 % similar 3,5-Dibromo-4-methylaniline13194-73-543 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-843 % 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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