(1R Trans)-2-(3,4-difluorophenyl)cyclopropane amine

C₉H₁₀ClF₂NCAS 1156491-10-9205.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₁₀ClF₂N
Molar mass: 205.63 g/mol
Exact mass: 205.0470 Da
logP: 2.20Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

1156491-10-9

SMILES

C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.Cl

InChIKey

IMYLOCHFFLYHPS-RDNZEXAOSA-N

InChI

InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m0./s1

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Work with (1R Trans)-2-(3,4-difluorophenyl)cyclopropane 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

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-590 % similar Benzeneacetic acid, α-hydroxy-, (αR)-(1R,2S)-compd. with 2-(3,4-difluorophenyl)cyclopropanamine (1:1)376608-71-855 % similar (1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide1006376-62-045 % similar Tranylcypromine155-09-944 % similar (2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-143 % similar (αS)-α-(Chloromethyl)-3,4-difluorobenzenemethanol1006376-60-840 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-037 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-436 % similar

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

Elsewhere

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