[3-(furan-2-yl)-6-methylheptyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 213474
• Molecular Formular: C20H29NO2
• Molecular Mass: 315.44976
• Monoisotopic Mass: 315.21982917
• SMILES: c1(occc1)C(CCC(C)C)CCNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccco1)CCC(C)C
• InChI: InChI=1S/C20H29NO2/c1-16(2)6-9-18(20-5-4-14-23-20)12-13-21-15-17-7-10-19(22-3)11-8-17/h4-5,7-8,10-11,14,16,18,21H,6,9,12-13,15H2,1-3H3
• InChIKey: BHQUGPAQAFOGLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-6-methylheptyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [3-(furan-2-yl)-6-methylheptyl][(4-methoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164269384
• PubChem CID: 4967392

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.520174
• LogD (pH = 7.4): 2.420969
• Log P: 4.7216635
• Molar Refractivity: 95.1059 cm^3
• Polarizability: 37.344967 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds