chempirical

3-Bromo-N,N-dimethylaniline

C8H10BrNCAS 16518-62-0200.08 g/mol

Open in Covalent MOL file
NBr
Aryl halideTertiary amine

Properties

Molecular formula
C8H10BrN
Molar mass
200.08 g/mol
Exact mass
198.9997 Da
Melting point
11 °C
Boiling point
100–104 °C (at 2 Torr)
logP
2.52Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
16518-62-0
SMILES
CN(C)c1cccc(Br)c1
InChIKey
USEXQPWLCGBYNT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 3-bromo-N,N-dimethyl-
  • Aniline, m-bromo-N,N-dimethyl-
  • 3-Bromo-N,N-dimethylbenzenamine
  • N,N-Dimethyl-3-bromoaniline
  • m-Bromo-N,N-dimethylaniline
  • (3-Bromophenyl)dimethylamine
  • N-(3-Bromophenyl)dimethylamine
  • 3-(N,N-Dimethylamino)-1-bromobenzene
  • 1-Bromo-3-dimethylaminobenzene

Work with 3-Bromo-N,N-dimethylaniline

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-Chloro-N,N-dimethylbenzenamine6848-13-156 % similar Dimethyl-M-toluidine121-72-254 % similar 1,3-Dibromobenzene108-36-152 % similar 3-(Dimethylamino)phenol99-07-052 % similar 1-(3-Bromophenyl)piperazine31197-30-548 % similar 1-Bromo-3-chlorobenzene108-37-248 % similar Dimethylaniline121-69-748 % similar 3-(Dimethylamino)benzenemethanol23501-93-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-(3-Bromophenyl)ethylamine139305-96-7 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 2-Bromo-4,6-dimethylbenzenamine41825-73-4 4-Bromo-2-ethylaniline45762-41-2 (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-4 4-Bromo-N′,N′-dimethylaniline586-77-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook