chempirical

2-Bromophenethylamine

C8H10BrNCAS 65185-58-2200.08 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65185-58-2
SMILES
C1=CC=C(C(=C1)CCN)Br
InChIKey
ITRNQMJXZUWZQL-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2

Weigh it out

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Work with 2-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

2-Bromobenzylamine3959-05-560 % similar 2-Bromobenzeneethanol1074-16-456 % similar 2-(2-Chlorophenyl)ethylamine13078-80-354 % similar 2-(2-Aminoethyl)phenol2039-66-954 % similar 2-(2-Fluorophenyl)ethylamine52721-69-454 % similar 2-Bromobenzylamine hydrochloride5465-63-454 % similar 2-Methylphenethylamine55755-16-354 % similar 3-(2-Bromo-phenyl)-propan-1-ol52221-92-852 % 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

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