1-(2-Chloro-5-fluorophenyl)methanamine

C₇H₇ClFNCAS 202522-23-4159.59 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇ClFN
Molar mass: 159.59 g/mol
Exact mass: 159.0251 Da
logP: 1.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H314 Causes severe skin burns and eye damage13.3% of notifiers
H318 Causes serious eye damage88.9% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

202522-23-4

SMILES

NCc1cc(F)ccc1Cl

InChIKey

IGFBMQSUHFQVFE-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClFN/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

4 names

2-Chloro-5-fluorobenzenemethanamine
Benzenemethanamine, 2-chloro-5-fluoro-
2-Chloro-5-fluorobenzylamine
(2-Chloro-5-fluorophenyl)methanamine

Work with 1-(2-Chloro-5-fluorophenyl)methanamine

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-Chloro-5-fluorobenzenemethanol261762-59-861 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-861 % similar 2,5-Dichlorobenzylamine10541-69-260 % similar 2,5-Difluorobenzenemethanamine85118-06-560 % similar 5-Fluoro-2-methylbenzenemethanamine261951-69-356 % similar 2-Bromo-5-fluorobenzenemethanamine747392-34-356 % similar 2-Chlorobenzylamine89-97-455 % similar 2,4-Difluorobenzylamine72235-52-055 % similar

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

Same formula

2-Chloro-4-fluoro-5-methylaniline124185-35-9 2-Chloro-4-fluorobenzylamine15205-11-5 2-Chloro-6-fluorobenzenemethanamine15205-15-9 5-Chloro-2-fluorobenzylamine261723-26-6 3-Chloro-2-fluorobenzenemethanamine72235-55-3 3-Chloro-4-fluorobenzylamine72235-56-4 4-Chloro-2-fluorobenzylamine72235-57-5 (4-Chloro-3-fluorophenyl)methanamine72235-58-6

Elsewhere

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