[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl](1-phenylethyl)amine

• ChemBase ID: 201085
• Molecular Formular: C22H25NO2
• Molecular Mass: 335.4394
• Monoisotopic Mass: 335.18852905
• SMILES: c1(C(c2c(OC)cccc2)CCNC(c2ccccc2)C)occc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CCNC(c1ccccc1)C
• InChI: InChI=1S/C22H25NO2/c1-17(18-9-4-3-5-10-18)23-15-14-20(22-13-8-16-25-22)19-11-6-7-12-21(19)24-2/h3-13,16-17,20,23H,14-15H2,1-2H3
• InChIKey: BNUYZJKEVMDDRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-3-(2-methoxyphenyl)propyl](1-phenylethyl)amine
• IUPAC Traditional name: [3-(furan-2-yl)-3-(2-methoxyphenyl)propyl](1-phenylethyl)amine

Database IDs

• PubChem SID: 164256995
• PubChem CID: 2927813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4387649
• LogD (pH = 7.4): 2.2261631
• Log P: 4.6513176
• Molar Refractivity: 101.2681 cm^3
• Polarizability: 39.585777 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds