2-phenyl-1-benzofuran-7-amine

• ChemBase ID: 34449
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c12c(cccc1cc(o2)c1ccccc1)N
• Canonical SMILES: Nc1cccc2c1oc(c2)c1ccccc1
• InChI: InChI=1S/C14H11NO/c15-12-8-4-7-11-9-13(16-14(11)12)10-5-2-1-3-6-10/h1-9H,15H2
• InChIKey: SRQPIGJOUMZWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1-benzofuran-7-amine
• IUPAC Traditional name: 2-phenyl-1-benzofuran-7-amine
• Synonyms: 2-Phenyl-1-benzofuran-7-amine

Database IDs

• CAS Number: 77083-99-9
• MDL Number: MFCD04971061
• PubChem SID: 160997756
• PubChem CID: 12064788

CALCULATED PROPERTIES

• Acid pKa: 18.622765
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8705254
• LogD (pH = 7.4): 2.870668
• Log P: 2.8706698
• Molar Refractivity: 64.6132 cm^3
• Polarizability: 26.969261 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false