[2-(cyclohex-1-en-1-yl)ethyl][(4-methylphenyl)methyl]amine

• ChemBase ID: 311640
• Molecular Formular: C16H23N
• Molecular Mass: 229.36052
• Monoisotopic Mass: 229.18304974
• SMILES: C1(=CCCCC1)CCNCc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CNCCC1=CCCCC1
• InChI: InChI=1S/C16H23N/c1-14-7-9-16(10-8-14)13-17-12-11-15-5-3-2-4-6-15/h5,7-10,17H,2-4,6,11-13H2,1H3
• InChIKey: YKKABOKSWPNSMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohex-1-en-1-yl)ethyl][(4-methylphenyl)methyl]amine
• IUPAC Traditional name: [2-(cyclohex-1-en-1-yl)ethyl][(4-methylphenyl)methyl]amine
• Synonyms: (2-cyclohex-1-en-1-ylethyl)(4-methylbenzyl)amine

Database IDs

• CAS Number: 356530-85-3
• MDL Number: MFCD03210673

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9075585
• LogD (pH = 7.4): 1.6922894
• Log P: 4.1203346
• Molar Refractivity: 75.6202 cm^3
• Polarizability: 29.314726 Å^3
• Polar Surface Area: 12.03 Å^2