1-(5-ethylfuran-2-yl)-2-methoxyethan-1-amine

• ChemBase ID: 279145
• Molecular Formular: C9H15NO2
• Molecular Mass: 169.2209
• Monoisotopic Mass: 169.11027873
• SMILES: c1(oc(cc1)CC)C(N)COC
• Canonical SMILES: COCC(c1ccc(o1)CC)N
• InChI: InChI=1S/C9H15NO2/c1-3-7-4-5-9(12-7)8(10)6-11-2/h4-5,8H,3,6,10H2,1-2H3
• InChIKey: AHABYWDFQTYDSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethylfuran-2-yl)-2-methoxyethan-1-amine
• IUPAC Traditional name: 1-(5-ethylfuran-2-yl)-2-methoxyethanamine
• Synonyms: 1-(5-ethylfuran-2-yl)-2-methoxyethan-1-amine

Database IDs

• MDL Number: MFCD18658958
• PubChem SID: 164335055
• PubChem CID: 54595162

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2651526
• LogD (pH = 7.4): 0.40605572
• Log P: 0.8941362
• Molar Refractivity: 47.3097 cm^3
• Polarizability: 18.538467 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.16

Product Information

• Purity: 95%