[(4-methoxy-2,5-dimethylphenyl)methyl](2-phenylethyl)amine

• ChemBase ID: 310946
• Molecular Formular: C18H23NO
• Molecular Mass: 269.38132
• Monoisotopic Mass: 269.17796436
• SMILES: c1(cc(c(cc1C)CNCCc1ccccc1)C)OC
• Canonical SMILES: COc1cc(C)c(cc1C)CNCCc1ccccc1
• InChI: InChI=1S/C18H23NO/c1-14-12-18(20-3)15(2)11-17(14)13-19-10-9-16-7-5-4-6-8-16/h4-8,11-12,19H,9-10,13H2,1-3H3
• InChIKey: JYRULRQWXNJIAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxy-2,5-dimethylphenyl)methyl](2-phenylethyl)amine
• IUPAC Traditional name: [(4-methoxy-2,5-dimethylphenyl)methyl](2-phenylethyl)amine
• Synonyms: (4-methoxy-2,5-dimethylbenzyl)(2-phenylethyl)amine

Database IDs

• CAS Number: 355383-21-0
• MDL Number: MFCD01135869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2023733
• LogD (pH = 7.4): 2.001767
• Log P: 4.4139004
• Molar Refractivity: 85.2192 cm^3
• Polarizability: 33.001812 Å^3
• Polar Surface Area: 21.26 Å^2