N-(2-phenylethyl)cyclohexanamine

• ChemBase ID: 311344
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N(CCc1ccccc1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCCc1ccccc1
• InChI: InChI=1S/C14H21N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2
• InChIKey: HYESTPIIALLAAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylethyl)cyclohexanamine
• IUPAC Traditional name: N-(2-phenylethyl)cyclohexanamine
• Synonyms: N-(2-phenylethyl)cyclohexanamine

Database IDs

• CAS Number: 51827-40-8
• MDL Number: MFCD00961593

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3845424
• LogD (pH = 7.4): 0.73861015
• Log P: 3.6195264
• Molar Refractivity: 65.0752 cm^3
• Polarizability: 25.853601 Å^3
• Polar Surface Area: 12.03 Å^2