(furan-2-ylmethyl)(1-phenylpropan-2-yl)amine

• ChemBase ID: 16109
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: c1(occc1)CNC(Cc1ccccc1)C
• Canonical SMILES: CC(Cc1ccccc1)NCc1ccco1
• InChI: InChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3
• InChIKey: XWWSVBIGONHVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(1-phenylpropan-2-yl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(1-phenylpropan-2-yl)amine
• Synonyms: Furan-2-ylmethyl-(1-methyl-2-phenyl-ethyl)-amine

Database IDs

• MDL Number: MFCD00685247
• PubChem SID: 160979416
• PubChem CID: 18116

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.10643289
• LogD (pH = 7.4): 1.7135241
• Log P: 3.0215507
• Molar Refractivity: 65.4833 cm^3
• Polarizability: 25.624273 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false