chempirical

4-Bromo-2-ethylaniline

C8H10BrNCAS 45762-41-2200.08 g/mol

Open in Covalent MOL file
BrH2N
Aryl halidePrimary amine

Properties

Molecular formula
C8H10BrN
Molar mass
200.08 g/mol
Exact mass
198.9997 Da
Boiling point
134–138 °C (at 8 Torr)
logP
2.59Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
45762-41-2
SMILES
CCc1cc(Br)ccc1N
InChIKey
LGOZNQPHTIGMQJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, 4-bromo-2-ethyl-
  • Aniline, 4-bromo-2-ethyl-
  • 4-Bromo-2-ethylbenzenamine
  • 2-Ethyl-4-bromoaniline

Work with 4-Bromo-2-ethylaniline

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

4,4′-Methylenebis[2-ethylbenzenamine]19900-65-358 % similar 4-Bromo-2-ethyl-1-iodobenzene175278-30-556 % similar 2-Ethylaniline578-54-155 % similar 4-Bromo-1,2-benzenediamine1575-37-754 % similar 4-Bromo-2-methylaniline583-75-552 % similar 2,4-Dibromoaniline615-57-650 % similar 4-Bromo-2-methoxybenzenamine59557-91-448 % similar 4-Bromo-2-fluoroaniline367-24-847 % similar

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

Same formula

(S)-1-(3-Bromophenyl)ethylamine139305-96-7 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 (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-4 4-Bromo-N′,N′-dimethylaniline586-77-6

Elsewhere

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