(furan-2-ylmethyl)(2-methylpropyl)amine

• ChemBase ID: 312587
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: c1(occc1)CNCC(C)C
• Canonical SMILES: CC(CNCc1ccco1)C
• InChI: InChI=1S/C9H15NO/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,8,10H,6-7H2,1-2H3
• InChIKey: ZKSHFBNCIZSCPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(2-methylpropyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(2-methylpropyl)amine
• Synonyms: (2-furylmethyl)isobutylamine

Database IDs

• CAS Number: 58924-66-6
• MDL Number: MFCD07410483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1260704
• LogD (pH = 7.4): 0.43952048
• Log P: 1.8361444
• Molar Refractivity: 45.4411 cm^3
• Polarizability: 17.924902 Å^3
• Polar Surface Area: 25.17 Å^2