3-Chloro-4-(trifluoromethyl)benzyl amine

C₈H₇ClF₃NCAS 361393-93-3209.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₇ClF₃N
Molar mass: 209.60 g/mol
Exact mass: 209.0219 Da
logP: 2.82Crippen estimate
Polar surface area: 26.0 Å²
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

361393-93-3

SMILES

C1=CC(=C(C=C1CN)Cl)C(F)(F)F

InChIKey

GRCRXCBPWHSEOI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClF3N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2

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Names and synonyms

1 names

3-Chloro-4-(trifluoromethyl)benzylamine

Work with 3-Chloro-4-(trifluoromethyl)benzyl amine

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-Fluoro-4-(trifluoromethyl)benzylamine235106-09-962 % similar 3,4-Dichlorobenzenemethanamine102-49-858 % similar [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-657 % similar 3-Chloro-4-trifluoromethylaniline445-13-656 % similar 3-Chloro-4-fluorobenzylamine72235-56-456 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-853 % similar 3-(Trifluoromethyl)benzylamine2740-83-251 % similar

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

Same formula

2-Chloro-3-(trifluoromethyl)benzylamine39226-96-5 4-Chloro-3-(trifluoromethyl)benzylamine62039-92-3 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-4

Elsewhere

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