4-Benzylaminocyclohexanone

C₁₃H₁₇NOCAS 142009-99-2203.29 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₃H₁₇NO
Molar mass: 203.29 g/mol
Exact mass: 203.1310 Da
logP: 2.29Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

142009-99-2

SMILES

C1CC(=O)CCC1NCC2=CC=CC=C2

InChIKey

NMCDGVLRNAILQW-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-(Benzylamino)cyclohexan-1-one

Work with 4-Benzylaminocyclohexanone

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

4-Phenylcyclohexanone4894-75-152 % similar Dibenzyl ketone102-04-545 % similar 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-845 % similar 1-Phenyl-3-hexanone29898-25-744 % similar 1-Benzyl-4-piperidone3612-20-244 % similar (-)-N-Benzyl-1-phenylethylamine17480-69-242 % similar (+)-Benzylphenethylamine38235-77-742 % similar 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one28957-72-441 % similar

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

Same formula

4′-Piperidinoacetophenone10342-85-5 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-9 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-6 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-9 1-Benzyl-3-methylpiperidin-4-one34737-89-8 N-Phenethyl-4-piperidinone39742-60-4 Crotamiton483-63-6

Elsewhere

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