(1-benzofuran-3-ylmethyl)(methyl)amine hydrochloride

• ChemBase ID: 72051
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: c1(coc2c1cccc2)CNC.Cl
• Canonical SMILES: CNCc1coc2c1cccc2.Cl
• InChI: InChI=1S/C10H11NO.ClH/c1-11-6-8-7-12-10-5-3-2-4-9(8)10;/h2-5,7,11H,6H2,1H3;1H
• InChIKey: MVLPHXNMXUVAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzofuran-3-ylmethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (1-benzofuran-3-ylmethyl)(methyl)amine hydrochloride
• Synonyms: (1-Benzofuran-3-ylmethyl)methylamine hydrochloride

Database IDs

• PubChem SID: 162103961
• PubChem CID: 71299935

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4660325
• LogD (pH = 7.4): -0.2944381
• Log P: 1.690718
• Molar Refractivity: 48.1471 cm^3
• Polarizability: 19.970873 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT