2-Bromo-5-fluorobenzenemethanamine

C₇H₇BrFNCAS 747392-34-3204.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇BrFN
Molar mass: 204.04 g/mol
Exact mass: 202.9746 Da
logP: 2.05Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

747392-34-3

SMILES

NCc1cc(F)ccc1Br

InChIKey

HEVQVBQUMCXTJO-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

3 names

Benzenemethanamine, 2-bromo-5-fluoro-
(2-Bromo-5-fluorobenzyl)amine
(2-Bromo-5-fluorophenyl)methanamine

Work with 2-Bromo-5-fluorobenzenemethanamine

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

1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-563 % similar 2-Bromo-5-fluorobenzenemethanol202865-66-561 % similar 2,5-Difluorobenzenemethanamine85118-06-560 % similar 2-Chloro-5-fluorobenzenemethanamine202522-23-456 % similar 2,4-Difluorobenzylamine72235-52-055 % similar 1,2-Dibromo-4-fluorobenzene2369-37-154 % similar 5-Fluoro-2-(trifluoromethyl)benzenemethanamine231291-14-853 % similar 1-Bromo-2,4-difluorobenzene348-57-250 % similar

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

Same formula

4-Bromo-2-fluorobenzenemethanamine112734-22-2 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook