chempirical

2-Bromo-N,N-dimethylbenzenamine

C8H10BrNCAS 698-00-0200.08 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
Density
1.388 g/mL (at 25 °C)
Boiling point
107–108 °C (at 14 Torr)
logP
2.52Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
698-00-0
SMILES
CN(C)c1ccccc1Br
InChIKey
ONMSBNJJCUCYED-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Benzenamine, 2-bromo-N,N-dimethyl-
  • Aniline, o-bromo-N,N-dimethyl-
  • o-Bromo-N,N-dimethylaniline
  • 2-Bromo-N,N-dimethylaniline
  • 2-(Dimethylamino)bromobenzene
  • 2-(Dimethylamino)phenyl bromide
  • NSC 33816
  • N,N-Dimethyl-2-bromoaniline
  • 2-Dimethylamino-1-bromobenzene
  • 2-(N,N-Dimethylamino)bromobenzene
  • 1-Bromo-2-dimethylaminobenzene
  • (2-Bromophenyl)dimethylamine

Work with 2-Bromo-N,N-dimethylbenzenamine

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

Dimethyl-O-toluidine609-72-352 % similar 2-Chloro-N,N-dimethylbenzenamine698-01-150 % similar N,N-Dimethyl-1-naphthylamine86-56-648 % similar 1,8-Bis(dimethylamino)naphthalene20734-58-146 % similar 1,2-Dibromobenzene583-53-945 % similar 5,10-Dihydro-5,10-dimethylphenazine15546-75-543 % similar 1-(2-Bromophenyl)piperazine1011-13-843 % similar Dimethylaniline121-69-742 % similar

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

Same formula

3-Bromo-N,N-dimethylaniline16518-62-0 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

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