4-Bromo-N-methylaniline

C₇H₈BrNCAS 6911-87-1186.05 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₇H₈BrN
Molar mass: 186.05 g/mol
Exact mass: 184.9840 Da
logP: 2.49Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6911-87-1

SMILES

CNC1=CC=C(C=C1)Br

InChIKey

AYVPVDWQZAAZCM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzenamine, 4-bromo-N-methyl-

Work with 4-Bromo-N-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

Bis(4-bromophenyl)amine16292-17-457 % similar N-Methyl-p-aminophenol150-75-457 % similar 3-Bromo-N-methylbenzenamine66584-32-554 % similar (4-Bromophenyl)hydrazine589-21-952 % similar N-Methyl-p-toluidine623-08-552 % similar N-Methylaniline100-61-850 % similar 1,4-Dibromobenzene106-37-650 % similar 4-Fluoro-N-methylaniline459-59-650 % 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 5-Bromo-2,3-dimethylpyridine27063-90-7 3-Bromo-2,4-dimethylpyridine27063-93-0 3-Bromo-2,6-dimethylpyridine3430-31-7 5-Bromo-2-methylbenzenamine39478-78-9 2-Bromobenzylamine3959-05-5 4-Bromobenzenemethanamine3959-07-7

Elsewhere

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