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

• ChemBase ID: 274902
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: o1c(cc2c1ccc(c2)C)CN
• Canonical SMILES: NCc1cc2c(o1)ccc(c2)C
• InChI: InChI=1S/C10H11NO/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5H,6,11H2,1H3
• InChIKey: LNHJWZLDJYOZGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16040248
• PubChem SID: 164330812
• PubChem CID: 45122674

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7165303
• LogD (pH = 7.4): 0.976692
• Log P: 1.6915601
• Molar Refractivity: 48.2912 cm^3
• Polarizability: 19.888008 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.153

Product Information

• Purity: 95%