1-(furan-2-yl)-2-(2-methylpropoxy)ethan-1-amine

• ChemBase ID: 267320
• Molecular Formular: C10H17NO2
• Molecular Mass: 183.24748
• Monoisotopic Mass: 183.12592879
• SMILES: c1(occc1)C(N)COCC(C)C
• Canonical SMILES: CC(COCC(c1ccco1)N)C
• InChI: InChI=1S/C10H17NO2/c1-8(2)6-12-7-9(11)10-4-3-5-13-10/h3-5,8-9H,6-7,11H2,1-2H3
• InChIKey: AHQGMMIEDOQDHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-(2-methylpropoxy)ethan-1-amine
• IUPAC Traditional name: 1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
• Synonyms: 1-(furan-2-yl)-2-(2-methylpropoxy)ethan-1-amine

Database IDs

• MDL Number: MFCD16040168
• PubChem SID: 164323230
• PubChem CID: 47002992

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.70429236
• LogD (pH = 7.4): 0.9578124
• Log P: 1.4163556
• Molar Refractivity: 51.3802 cm^3
• Polarizability: 20.45444 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.449

Product Information

• Purity: 95%