ethyl[(5-methylfuran-2-yl)methyl]amine

• ChemBase ID: 308452
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: o1c(ccc1C)CNCC
• Canonical SMILES: CCNCc1ccc(o1)C
• InChI: InChI=1S/C8H13NO/c1-3-9-6-8-5-4-7(2)10-8/h4-5,9H,3,6H2,1-2H3
• InChIKey: JJNDMNKUTSKBDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(5-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: ethyl[(5-methylfuran-2-yl)methyl]amine
• Synonyms: N-[(5-methyl-2-furyl)methyl]ethanamine

Database IDs

• CAS Number: 175915-12-5
• MDL Number: MFCD06740630

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.661148
• LogD (pH = 7.4): 0.010006642
• Log P: 1.1482105
• Molar Refractivity: 41.5952 cm^3
• Polarizability: 16.003963 Å^3
• Polar Surface Area: 25.17 Å^2