(2,3-dihydro-1-benzofuran-7-ylmethyl)(methyl)amine

• ChemBase ID: 101071
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12c(CNC)cccc2CCO1
• Canonical SMILES: CNCc1cccc2c1OCC2
• InChI: InChI=1S/C10H13NO/c1-11-7-9-4-2-3-8-5-6-12-10(8)9/h2-4,11H,5-7H2,1H3
• InChIKey: WVSLYVGYBIMHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-7-ylmethyl)(methyl)amine
• IUPAC Traditional name: (2,3-dihydro-1-benzofuran-7-ylmethyl)(methyl)amine
• Synonyms: N-methyl-[(2,3-dihydrobenzo[b]furan-7-yl)methyl]amine

Database IDs

• CAS Number: 389845-43-6
• MDL Number: MFCD10700046
• PubChem SID: 162089141
• PubChem CID: 26343571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6600063
• LogD (pH = 7.4): -0.25083613
• Log P: 1.4138119
• Molar Refractivity: 49.0788 cm^3
• Polarizability: 19.094112 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%