1-(furan-2-yl)-2,2-dimethylpropan-1-amine

• ChemBase ID: 274748
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: c1(C(C(C)(C)C)N)occc1
• Canonical SMILES: NC(C(C)(C)C)c1ccco1
• InChI: InChI=1S/C9H15NO/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
• InChIKey: NWBISWZGDOEFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16086823
• PubChem SID: 164330658
• PubChem CID: 54593350

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6760869
• LogD (pH = 7.4): 1.002078
• Log P: 1.841332
• Molar Refractivity: 44.7348 cm^3
• Polarizability: 17.924488 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.906

Product Information

• Purity: 95%