1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-amine

• ChemBase ID: 274740
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: c1(oc(cc1)CC)C(C(C)(C)C)N
• Canonical SMILES: CCc1ccc(o1)C(C(C)(C)C)N
• InChI: InChI=1S/C11H19NO/c1-5-8-6-7-9(13-8)10(12)11(2,3)4/h6-7,10H,5,12H2,1-4H3
• InChIKey: AZMLQBSONUOIRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-amine
• IUPAC Traditional name: 1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-amine
• Synonyms: 1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-amine

Database IDs

• MDL Number: MFCD16708208
• PubChem SID: 164330650
• PubChem CID: 54593347

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.015870294
• LogD (pH = 7.4): 1.6863745
• Log P: 2.5634158
• Molar Refractivity: 54.4085 cm^3
• Polarizability: 21.535524 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.934

Product Information

• Purity: 95%