[3-(furan-2-yl)-4-phenylbutyl](1-phenylethyl)amine

• ChemBase ID: 192873
• Molecular Formular: C22H25NO
• Molecular Mass: 319.44
• Monoisotopic Mass: 319.19361443
• SMILES: c1(occc1)C(Cc1ccccc1)CCNC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)NCCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C22H25NO/c1-18(20-11-6-3-7-12-20)23-15-14-21(22-13-8-16-24-22)17-19-9-4-2-5-10-19/h2-13,16,18,21,23H,14-15,17H2,1H3
• InChIKey: XGUHOBOCZIFLSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-4-phenylbutyl](1-phenylethyl)amine
• IUPAC Traditional name: [3-(furan-2-yl)-4-phenylbutyl](1-phenylethyl)amine

Database IDs

• PubChem SID: 164248783
• PubChem CID: 2954718

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.039171
• LogD (pH = 7.4): 2.804165
• Log P: 5.253557
• Molar Refractivity: 99.4059 cm^3
• Polarizability: 38.87285 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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