(oxolan-2-ylmethyl)(2-phenoxyethyl)amine

• ChemBase ID: 311670
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: O1C(CNCCOc2ccccc2)CCC1
• Canonical SMILES: C(COc1ccccc1)NCC1CCCO1
• InChI: InChI=1S/C13H19NO2/c1-2-5-12(6-3-1)16-10-8-14-11-13-7-4-9-15-13/h1-3,5-6,13-14H,4,7-11H2
• InChIKey: KQESXQMPXOHCCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)(2-phenoxyethyl)amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)(2-phenoxyethyl)amine
• Synonyms: (2-phenoxyethyl)(tetrahydrofuran-2-ylmethyl)amine

Database IDs

• CAS Number: 356532-62-2
• MDL Number: MFCD03210911

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2164577
• LogD (pH = 7.4): 0.16714351
• Log P: 1.8697602
• Molar Refractivity: 63.5003 cm^3
• Polarizability: 25.387403 Å^3
• Polar Surface Area: 30.49 Å^2