chempirical

(4-Chloro-3-fluorophenyl)methanamine

C7H7ClFNCAS 72235-58-6159.59 g/mol

Open in Covalent MOL file
H2NFCl
Aryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
72235-58-6
SMILES
C1=CC(=C(C=C1CN)F)Cl
InChIKey
HSNPBYKCCNMQNA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2

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Names and synonyms

1 names
  • 4-Chloro-3-fluorobenzylamine

Work with (4-Chloro-3-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

3,4-Dichlorobenzenemethanamine102-49-864 % similar 3,4-Difluorobenzylamine72235-53-164 % similar 3-Fluoro-4-chlorobenzyl chloride160658-68-463 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-361 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-156 % similar (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-356 % similar 4-Chloro-3-(trifluoromethyl)benzylamine62039-92-356 % similar 3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-953 % 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 2-Chloro-5-fluorobenzenemethanamine202522-23-4 5-Chloro-2-fluorobenzylamine261723-26-6 3-Chloro-2-fluorobenzenemethanamine72235-55-3 3-Chloro-4-fluorobenzylamine72235-56-4 4-Chloro-2-fluorobenzylamine72235-57-5

Elsewhere

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