1-benzofuran-6-ylmethanamine

• ChemBase ID: 266634
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: c12occc1ccc(c2)CN
• Canonical SMILES: NCc1ccc2c(c1)occ2
• InChI: InChI=1S/C9H9NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5H,6,10H2
• InChIKey: NBPDUBHQRMCPSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-6-ylmethanamine
• IUPAC Traditional name: 1-benzofuran-6-ylmethanamine
• Synonyms: 1-benzofuran-6-ylmethanamine

Database IDs

• MDL Number: MFCD14582318
• PubChem SID: 164322544
• PubChem CID: 47002760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7042825
• LogD (pH = 7.4): -0.60283774
• Log P: 1.2581377
• Molar Refractivity: 43.3725 cm^3
• Polarizability: 18.122646 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%