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

• ChemBase ID: 14455
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: c1(c2ccccc2)ccc(cc1)CNCC1CCCO1.Cl
• Canonical SMILES: C1COC(C1)CNCc1ccc(cc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21NO.ClH/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;1H
• InChIKey: GSIJSXJEYKTWMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine hydrochloride
• IUPAC Traditional name: (oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine hydrochloride
• Synonyms: Biphenyl-4-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride

Database IDs

• MDL Number: MFCD03930935
• PubChem SID: 160977762
• PubChem CID: 2904429

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
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false