2-[(furan-2-ylmethyl)amino]-2-methylpropan-1-ol

• ChemBase ID: 312361
• Molecular Formular: C9H15NO2
• Molecular Mass: 169.2209
• Monoisotopic Mass: 169.11027873
• SMILES: c1(occc1)CNC(CO)(C)C
• Canonical SMILES: OCC(NCc1ccco1)(C)C
• InChI: InChI=1S/C9H15NO2/c1-9(2,7-11)10-6-8-4-3-5-12-8/h3-5,10-11H,6-7H2,1-2H3
• InChIKey: SHVOHCISDMKPNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethyl)amino]-2-methylpropan-1-ol
• IUPAC Traditional name: 2-[(furan-2-ylmethyl)amino]-2-methylpropan-1-ol
• Synonyms: 2-[(2-furylmethyl)amino]-2-methyl-1-propanol

Database IDs

• CAS Number: 889949-94-4
• MDL Number: MFCD07410476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8945454
• LogD (pH = 7.4): -0.16016558
• Log P: 0.59889096
• Molar Refractivity: 47.0462 cm^3
• Polarizability: 18.54302 Å^3
• Polar Surface Area: 45.4 Å^2