3-(furan-2-yl)-3-phenylpropan-1-amine

• ChemBase ID: 306544
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c1(occc1)C(c1ccccc1)CCN
• Canonical SMILES: NCCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C13H15NO/c14-9-8-12(13-7-4-10-15-13)11-5-2-1-3-6-11/h1-7,10,12H,8-9,14H2
• InChIKey: UHZRFMKKTZNLNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-3-phenylpropan-1-amine
• IUPAC Traditional name: 3-(furan-2-yl)-3-phenylpropan-1-amine
• Synonyms: 3-(2-furyl)-3-phenylpropan-1-amine

Database IDs

• CAS Number: 374910-04-0
• MDL Number: MFCD02235141

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.78400683
• LogD (pH = 7.4): -0.2476264
• Log P: 2.2353601
• Molar Refractivity: 60.9989 cm^3
• Polarizability: 23.777967 Å^3
• Polar Surface Area: 39.16 Å^2