1-(furan-2-yl)-2-methoxyethan-1-amine

• ChemBase ID: 285783
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: c1(occc1)C(N)COC
• Canonical SMILES: COCC(c1ccco1)N
• InChI: InChI=1S/C7H11NO2/c1-9-5-6(8)7-3-2-4-10-7/h2-4,6H,5,8H2,1H3
• InChIKey: MQWDDJAFRMXKAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-methoxyethan-1-amine
• IUPAC Traditional name: 1-(furan-2-yl)-2-methoxyethanamine
• Synonyms: 1-(furan-2-yl)-2-methoxyethan-1-amine

Database IDs

• MDL Number: MFCD09729980
• PubChem SID: 180671314
• PubChem CID: 16783274

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9489942
• LogD (pH = 7.4): -0.2867885
• Log P: 0.17205246
• Molar Refractivity: 37.636 cm^3
• Polarizability: 14.938486 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.132

Product Information

• Purity: 95%