N-[(2-methoxyphenyl)methyl]-2-methylcyclohexan-1-amine

• ChemBase ID: 310979
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: N(Cc1c(OC)cccc1)C1C(C)CCCC1
• Canonical SMILES: COc1ccccc1CNC1CCCCC1C
• InChI: InChI=1S/C15H23NO/c1-12-7-3-5-9-14(12)16-11-13-8-4-6-10-15(13)17-2/h4,6,8,10,12,14,16H,3,5,7,9,11H2,1-2H3
• InChIKey: FYWXKQKJNZOYEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-methylcyclohexan-1-amine
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-methylcyclohexan-1-amine
• Synonyms: (2-methoxybenzyl)(2-methylcyclohexyl)amine

Database IDs

• CAS Number: 355382-41-1
• MDL Number: MFCD01135594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3429021
• LogD (pH = 7.4): 1.2954193
• Log P: 3.5381668
• Molar Refractivity: 71.255 cm^3
• Polarizability: 28.4052 Å^3
• Polar Surface Area: 21.26 Å^2