[1-(1-benzofuran-2-yl)ethyl](methyl)amine

• ChemBase ID: 254597
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: c1(oc2c(c1)cccc2)C(NC)C
• Canonical SMILES: CNC(c1cc2c(o1)cccc2)C
• InChI: InChI=1S/C11H13NO/c1-8(12-2)11-7-9-5-3-4-6-10(9)13-11/h3-8,12H,1-2H3
• InChIKey: JLKRQCDKFNFEIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1-benzofuran-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(1-benzofuran-2-yl)ethyl](methyl)amine
• Synonyms: N-[1-(1-benzofuran-2-yl)ethyl]-N-methylamine

Database IDs

• MDL Number: MFCD09813144
• PubChem SID: 164310507
• PubChem CID: 20117514

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.97193044
• LogD (pH = 7.4): 0.55287004
• Log P: 2.0272942
• Molar Refractivity: 52.4434 cm^3
• Polarizability: 21.817938 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.379

Product Information

• Purity: 95%