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

• ChemBase ID: 116504
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: o1c(cc2c1ccc(c2)OC)CN
• Canonical SMILES: COc1ccc2c(c1)cc(o2)CN
• InChI: InChI=1S/C10H11NO2/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-5H,6,11H2,1H3
• InChIKey: JOEROPVGOLHWBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxy-1-benzofuran-2-yl)methanamine
• IUPAC Traditional name: (5-methoxy-1-benzofuran-2-yl)methanamine
• Synonyms: (5-Methoxy-1-benzofuran-2-yl)methanamine

Database IDs

• MDL Number: MFCD16653037
• PubChem SID: 162102170
• PubChem CID: 28950084

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3945309
• LogD (pH = 7.4): 0.29826438
• Log P: 1.0204675
• Molar Refractivity: 49.7132 cm^3
• Polarizability: 20.599586 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.12
• Hydrophobicity(logP): 1.573

Product Information

• Purity: 95%; 95+%