(furan-2-ylmethyl)[3-(4-methoxyphenyl)-4-phenylbutyl]amine

• ChemBase ID: 191688
• Molecular Formular: C22H25NO2
• Molecular Mass: 335.4394
• Monoisotopic Mass: 335.18852905
• SMILES: c1(occc1)CNCCC(c1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(Cc1ccccc1)CCNCc1ccco1
• InChI: InChI=1S/C22H25NO2/c1-24-21-11-9-19(10-12-21)20(16-18-6-3-2-4-7-18)13-14-23-17-22-8-5-15-25-22/h2-12,15,20,23H,13-14,16-17H2,1H3
• InChIKey: KGMHFIBEEIRSCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[3-(4-methoxyphenyl)-4-phenylbutyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[3-(4-methoxyphenyl)-4-phenylbutyl]amine

Database IDs

• PubChem SID: 164247598
• PubChem CID: 4220896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8224218
• LogD (pH = 7.4): 3.413353
• Log P: 4.7572646
• Molar Refractivity: 101.3733 cm^3
• Polarizability: 39.50817 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds