(oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine

• ChemBase ID: 311643
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: c1(c2ccccc2)ccc(cc1)CNCC1OCCC1
• Canonical SMILES: C1COC(C1)CNCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H21NO/c1-2-5-16(6-3-1)17-10-8-15(9-11-17)13-19-14-18-7-4-12-20-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2
• InChIKey: QQYXAQMPMRUBMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine
• Synonyms: (biphenyl-4-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine

Database IDs

• CAS Number: 356530-39-7
• MDL Number: MFCD03210604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47705135
• LogD (pH = 7.4): 1.7755756
• Log P: 3.597409
• Molar Refractivity: 82.6969 cm^3
• Polarizability: 33.93979 Å^3
• Polar Surface Area: 21.26 Å^2