2-phenyl-1-benzofuran-5-amine

• ChemBase ID: 34459
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c12ccc(cc1cc(o2)c1ccccc1)N
• Canonical SMILES: Nc1ccc2c(c1)cc(o2)c1ccccc1
• InChI: InChI=1S/C14H11NO/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9H,15H2
• InChIKey: BDGHGQICSWOMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1-benzofuran-5-amine
• IUPAC Traditional name: 2-phenyl-1-benzofuran-5-amine
• Synonyms: 2-Phenyl-1-benzofuran-5-amine; (2-phenyl-1-benzofuran-5-yl)amine

Database IDs

• CAS Number: 77084-15-2
• MDL Number: MFCD04971060
• PubChem SID: 160997766
• PubChem CID: 16765172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8653064
• LogD (pH = 7.4): 2.870602
• Log P: 2.8706698
• Molar Refractivity: 64.6132 cm^3
• Polarizability: 26.966862 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