[2-(4-methoxyphenyl)ethyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 311650
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: O1C(CNCCc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)CCNCC1CCCO1
• InChI: InChI=1S/C14H21NO2/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14/h4-7,14-15H,2-3,8-11H2,1H3
• InChIKey: WDFUTBBPRRWMBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenyl)ethyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [2-(4-methoxyphenyl)ethyl](oxolan-2-ylmethyl)amine
• Synonyms: 2-(4-methoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)ethanamine

Database IDs

• CAS Number: 356537-93-4
• MDL Number: MFCD03211154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1138841
• LogD (pH = 7.4): -0.15976231
• Log P: 2.0811737
• Molar Refractivity: 68.7789 cm^3
• Polarizability: 27.150747 Å^3
• Polar Surface Area: 30.49 Å^2