2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone

C₁₃H₁₆FNOCAS 111982-50-4221.28 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₃H₁₆FNO
Molar mass: 221.28 g/mol
Exact mass: 221.1216 Da
logP: 2.38Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

111982-50-4

SMILES

CNC1(c2ccccc2F)CCCCC1=O

InChIKey

PHFAGYYTDLITTB-UHFFFAOYSA-N

InChI

InChI=1S/C13H16FNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3

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Names and synonyms

1 names

Cyclohexanone, 2-(2-fluorophenyl)-2-(methylamino)-

Work with 2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone

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

Ketamine hydrochloride1867-66-964 % similar (R)-(+)-Ketamine hydrochloride33795-24-364 % similar Cyclohexanone, 2-(methylamino)-2-phenyl-, hydrochloride (1:1)4631-27-060 % similar Tiletamine14176-49-942 % similar Tiletamine hydrochloride14176-50-239 % similar 2-Fluorobenzotrifluoride392-85-833 % similar 2-Fluoro-N-methylbenzenamine1978-38-733 % similar 1-Fluoro-2-(trichloromethyl)benzene488-98-233 % similar

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

Elsewhere

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