1-(4-Bromophenyl)ethylamine

C8H10BrNCAS 24358-62-1200.08 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
Boiling point
95 °C (at 4 Torr)
logP
2.47Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
24358-62-1
SMILES
CC(N)c1ccc(Br)cc1
InChIKey
SOZMSEPDYJGBEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

Weigh it out

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Names and synonyms

17 names · show all
  • Benzenemethanamine, 4-bromo-α-methyl-
  • Benzylamine, p-bromo-α-methyl-
  • 4-Bromo-α-methylbenzenemethanamine
  • 1-(4′-Bromophenyl)ethylamine
  • 1-(p-Bromophenyl)ethylamine
  • (±)-p-Bromo-α-methylbenzylamine
  • (RS)-1-(p-Bromophenyl)ethylamine
  • α-(p-Bromophenyl)ethylamine
  • α-Methyl-4-bromobenzenemethanamine
  • 4-(1-Aminoethyl)-1-bromobenzene
  • (±)-1-(4-Bromophenyl)ethylamine
  • 4-Bromo-1-(1-aminoethyl)benzene
  • (4-Bromo-α-methylbenzyl)amine
  • 1-(4-Bromophenyl)ethanamine
  • α-Methyl-p-bromobenzylamine
  • 1-(4-Bromophenyl)ethaneamine
  • 1-(4-Bromophenyl)ethan-1-amine

Work with 1-(4-Bromophenyl)ethylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1Defined stereoisomer (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-4Defined stereoisomer

Similar compounds

(-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (S)-α-Phenethylamine2627-86-356 % similar (R)-α-Phenethylamine3886-69-956 % similar 1-Bromo-4-isopropylbenzene586-61-856 % similar 1-Phenethylamine618-36-056 % similar 1-Phenylethylamine98-84-056 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-356 % 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 (R)-1-(3-Bromophenyl)ethanamine176707-77-0 4-Bromo-2,6-dimethylbenzenamine24596-19-8 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4 4-Bromo-2-ethylaniline45762-41-2

Elsewhere

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