1-Phenylcyclohexylamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.

Aralkylamines

Organic compounds

Organonitrogen compounds

Amines

Aralkylamines

Calculated Property

kind Value Source
logP 2.87 ALOGPS
logS -3.5 ALOGPS
Water Solubility 5.73e-02 g/l ALOGPS
logP 2.82 ChemAxon
IUPAC Name 1-phenylcyclohexan-1-amine ChemAxon
Traditional IUPAC Name 1-phenylcyclohexylamine ChemAxon
Molecular Weight 175.2701 ChemAxon
Monoisotopic Weight 175.136099549 ChemAxon
SMILES NC1(CCCCC1)C1=CC=CC=C1 ChemAxon
Molecular Formula C12H17N ChemAxon
InChI InChI=1S/C12H17N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,13H2 ChemAxon
InChIKey InChIKey=RGZGRPPQZUQUCR-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 26.02 ChemAxon
Refractivity 55.44 ChemAxon
Polarizability 20.69 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 10.05 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon