3-Bromophenethylamine

C8H10BrNCAS 58971-11-2200.08 g/mol

Open in Covalent MOL file
BrNH2
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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
58971-11-2
SMILES
C1=CC(=CC(=C1)Br)CCN
InChIKey
ORHRHMLEFQBHND-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2

Weigh it out

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

Work with 3-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

3-Bromobenzylamine10269-01-964 % similar 3-Bromophenethyl alcohol28229-69-860 % similar 4-Bromophenethylamine73918-56-659 % similar 3-Bromobenzylamine hydrochloride39959-54-158 % similar 2-(3-Chlorophenyl)ethylamine13078-79-057 % similar 3-Fluorophenethylamine404-70-657 % similar 3-Bromobenzyl bromide823-78-955 % similar meta-Tyramine588-05-655 % 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 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook