2-Chloro-4-fluoro-5-methylaniline

C₇H₇ClFNCAS 124185-35-9159.59 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: 2.37Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

124185-35-9

SMILES

Cc1cc(N)c(Cl)cc1F

InChIKey

OXINUINVVAJJSE-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClFN/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,10H2,1H3

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Names and synonyms

2 names

Benzenamine, 2-chloro-4-fluoro-5-methyl-
2-Chloro-4-fluoro-5-methylbenzenamine

Work with 2-Chloro-4-fluoro-5-methylaniline

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-methyl-1,4-benzenediamine5307-03-964 % similar 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-556 % similar 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-452 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-750 % similar 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-647 % similar 5-Amino-2-chloro-4-fluorophenol84478-72-847 % similar 2,4,5-Trichloroaniline636-30-646 % similar 4-Chloro-2-methoxy-5-methylaniline6376-14-346 % similar

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

Same formula

2-Chloro-6-fluorobenzenemethanamine15205-15-9 2-Chloro-5-fluorobenzenemethanamine202522-23-4 3-Chloro-2-fluorobenzenemethanamine72235-55-3

Elsewhere

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