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

• ChemBase ID: 238207
• Molecular Formular: C9H15NO2
• Molecular Mass: 169.2209
• Monoisotopic Mass: 169.11027873
• SMILES: o1c(ccc1C)CNCCOC
• Canonical SMILES: COCCNCc1ccc(o1)C
• InChI: InChI=1S/C9H15NO2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3
• InChIKey: OBHOPNYPKFBIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(5-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(5-methylfuran-2-yl)methyl]amine
• Synonyms: (2-methoxyethyl)[(5-methylfuran-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD06740597
• PubChem SID: 164294117
• PubChem CID: 4777616

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5995723
• LogD (pH = 7.4): 0.12531431
• Log P: 0.7444271
• Molar Refractivity: 47.8901 cm^3
• Polarizability: 18.539669 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.356

Product Information

• Purity: 95%