4-(1-benzofuran-2-yl)aniline

• ChemBase ID: 236784
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c1(oc2c(c1)cccc2)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)c1cc2c(o1)cccc2
• InChI: InChI=1S/C14H11NO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H,15H2
• InChIKey: HJLGQPREWJFXII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzofuran-2-yl)aniline
• IUPAC Traditional name: 4-(1-benzofuran-2-yl)aniline
• Synonyms: 4-(1-benzofuran-2-yl)aniline

Database IDs

• CAS Number: 782-18-3
• MDL Number: MFCD01078584
• PubChem SID: 164292694
• PubChem CID: 720692

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.867171
• LogD (pH = 7.4): 2.8706255
• 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

Physical Property

• Melting Point: 281 - 283°C
• Hydrophobicity(logP): 3.573

Product Information

• Purity: 95%