[(3,4-dimethoxyphenyl)methyl][3-(4-methoxyphenyl)-4-methylpentyl]amine

• ChemBase ID: 194082
• Molecular Formular: C22H31NO3
• Molecular Mass: 357.48644
• Monoisotopic Mass: 357.23039386
• SMILES: c1(c(ccc(c1)CNCCC(c1ccc(cc1)OC)C(C)C)OC)OC
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCNCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C22H31NO3/c1-16(2)20(18-7-9-19(24-3)10-8-18)12-13-23-15-17-6-11-21(25-4)22(14-17)26-5/h6-11,14,16,20,23H,12-13,15H2,1-5H3
• InChIKey: XABPPFYKVVQMGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl][3-(4-methoxyphenyl)-4-methylpentyl]amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][3-(4-methoxyphenyl)-4-methylpentyl]amine

Database IDs

• PubChem SID: 164249992
• PubChem CID: 3454663

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3333913
• LogD (pH = 7.4): 2.2340972
• Log P: 4.5348907
• Molar Refractivity: 106.3624 cm^3
• Polarizability: 41.82914 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds