furan-2-yl(phenyl)methanamine

• ChemBase ID: 306739
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(C(c2ccccc2)N)occc1
• Canonical SMILES: NC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C11H11NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H,12H2
• InChIKey: PUJSAEOHZQWRLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-yl(phenyl)methanamine
• IUPAC Traditional name: furan-2-yl(phenyl)methanamine
• Synonyms: 1-(2-furyl)-1-phenylmethanamine

Database IDs

• CAS Number: 83948-38-3
• MDL Number: MFCD02735562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.16771662
• LogD (pH = 7.4): 1.4919589
• Log P: 1.9435011
• Molar Refractivity: 51.2051 cm^3
• Polarizability: 20.16083 Å^3
• Polar Surface Area: 39.16 Å^2