methyl[(2-methylfuran-3-yl)methyl]amine

• ChemBase ID: 75927
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: o1c(c(cc1)CNC)C
• Canonical SMILES: CNCc1ccoc1C
• InChI: InChI=1S/C7H11NO/c1-6-7(5-8-2)3-4-9-6/h3-4,8H,5H2,1-2H3
• InChIKey: IDODRBWAEHXURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methylfuran-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methylfuran-3-yl)methyl]amine
• Synonyms: N-methyl(2-methyl-3-furyl)methylamine; methyl[(2-methylfuran-3-yl)methyl]amine; N-Methyl-(2-methylfur-3-yl)methylamine; 2-Methyl-3-[(methylamino)methyl]furan 95%

Database IDs

• CAS Number: 916766-85-3
• MDL Number: MFCD09702377
• PubChem SID: 162040845
• PubChem CID: 24229548

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1816704
• LogD (pH = 7.4): -0.7345194
• Log P: 0.8714015
• Molar Refractivity: 36.9691 cm^3
• Polarizability: 14.160513 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.135

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%