(furan-2-ylmethyl)(propan-2-yl)amine

• ChemBase ID: 255596
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: c1(occc1)CNC(C)C
• Canonical SMILES: CC(NCc1ccco1)C
• InChI: InChI=1S/C8H13NO/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
• InChIKey: GAGIUQGGHJZYTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(propan-2-yl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(isopropyl)amine
• Synonyms: (furan-2-ylmethyl)(propan-2-yl)amine

Database IDs

• MDL Number: MFCD05861732
• PubChem SID: 164311506
• PubChem CID: 12572948

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4603451
• LogD (pH = 7.4): 0.20302844
• Log P: 1.3652242
• Molar Refractivity: 40.8643 cm^3
• Polarizability: 16.080904 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.524

Product Information

• Purity: 95%