chempirical

4-Bromophenethylamine

C8H10BrNCAS 73918-56-6200.08 g/mol

Open in Covalent MOL file
H2NBr
Aryl halidePrimary amine

Properties

Molecular formula
C8H10BrN
Molar mass
200.08 g/mol
Exact mass
198.9997 Da
logP
1.95Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
73918-56-6
SMILES
NCCc1ccc(Br)cc1
InChIKey
ZSZCXAOQVBEPME-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2

Weigh it out

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

Names and synonyms

8 names
  • Benzeneethanamine, 4-bromo-
  • 4-Bromobenzeneethanamine
  • p-Bromophenylethylamine
  • p-Bromophenethylamine
  • 2-(4-Bromophenyl)ethylamine
  • 2-(4-Bromophenyl)ethanamine
  • 4-Bromophenylethylamine
  • 2-(4-Bromophenyl)ethan-1-amine

Work with 4-Bromophenethylamine

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-Bromobenzenemethanamine3959-07-761 % similar Tyramine51-67-258 % similar 2-(4-Aminophenyl)ethylamine13472-00-954 % similar 4-Bromobenzylamine hydrochloride26177-44-654 % similar 2-(4-Chlorophenyl)ethylamine156-41-252 % similar 4-Methylphenethylamine3261-62-952 % similar 2-(4-Bromophenyl)ethanol4654-39-152 % similar 1-Bromo-4-propylbenzene588-93-252 % 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 4-Bromo-2-ethylaniline45762-41-2 (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-4

Elsewhere

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