furan-3-yl(phenyl)methanamine

• ChemBase ID: 274991
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(C(c2ccccc2)N)cocc1
• Canonical SMILES: NC(c1cocc1)c1ccccc1
• InChI: InChI=1S/C11H11NO/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8,11H,12H2
• InChIKey: LCVVSTSZQSMUOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-3-yl(phenyl)methanamine
• IUPAC Traditional name: furan-3-yl(phenyl)methanamine
• Synonyms: furan-3-yl(phenyl)methanamine

Database IDs

• MDL Number: MFCD12175495
• PubChem SID: 164330901
• PubChem CID: 43463914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.68303746
• LogD (pH = 7.4): 0.91125524
• Log P: 2.0235
• Molar Refractivity: 51.3276 cm^3
• Polarizability: 20.160152 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.618

Product Information

• Purity: 95%