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

• ChemBase ID: 194751
• Molecular Formular: C21H29NO2
• Molecular Mass: 327.46046
• Monoisotopic Mass: 327.21982917
• SMILES: c1(C(C(C)C)CCNCc2ccc(cc2)OC)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C21H29NO2/c1-16(2)21(18-7-11-20(24-4)12-8-18)13-14-22-15-17-5-9-19(23-3)10-6-17/h5-12,16,21-22H,13-15H2,1-4H3
• InChIKey: WNFVLBAWTDPPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250661
• PubChem CID: 3841808

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4800894
• LogD (pH = 7.4): 2.2684352
• Log P: 4.692562
• Molar Refractivity: 99.8992 cm^3
• Polarizability: 39.334347 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds