(7-methoxy-1-benzofuran-2-yl)methanamine

• ChemBase ID: 116506
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: c12oc(cc1cccc2OC)CN
• Canonical SMILES: COc1cccc2c1oc(c2)CN
• InChI: InChI=1S/C10H11NO2/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-5H,6,11H2,1H3
• InChIKey: ZPDXFVTYOVORRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methoxy-1-benzofuran-2-yl)methanamine
• IUPAC Traditional name: (7-methoxy-1-benzofuran-2-yl)methanamine
• Synonyms: (7-Methoxy-1-benzofuran-2-yl)methanamine

Database IDs

• MDL Number: MFCD12048755
• PubChem SID: 162102171
• PubChem CID: 33678590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4137486
• LogD (pH = 7.4): 0.27751166
• Log P: 1.0204675
• Molar Refractivity: 49.7132 cm^3
• Polarizability: 20.606268 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.081
• Hydrophobicity(logP): 1.573

Product Information

• Purity: 95%; 95+%