benzyl[3-(furan-2-yl)-4-methylpentyl]amine

• ChemBase ID: 195393
• Molecular Formular: C17H23NO
• Molecular Mass: 257.37062
• Monoisotopic Mass: 257.17796436
• SMILES: c1(occc1)C(C(C)C)CCNCc1ccccc1
• Canonical SMILES: CC(C(c1ccco1)CCNCc1ccccc1)C
• InChI: InChI=1S/C17H23NO/c1-14(2)16(17-9-6-12-19-17)10-11-18-13-15-7-4-3-5-8-15/h3-9,12,14,16,18H,10-11,13H2,1-2H3
• InChIKey: OGBZWHNMZSPTQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[3-(furan-2-yl)-4-methylpentyl]amine
• IUPAC Traditional name: benzyl[3-(furan-2-yl)-4-methylpentyl]amine

Database IDs

• PubChem SID: 164251303
• PubChem CID: 3438003

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7814192
• LogD (pH = 7.4): 1.611289
• Log P: 3.9901974
• Molar Refractivity: 79.4407 cm^3
• Polarizability: 31.16364 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds