2-[2-(benzyloxy)phenyl]aniline hydrochloride

• ChemBase ID: 91552
• Molecular Formular: C19H18ClNO
• Molecular Mass: 311.80532
• Monoisotopic Mass: 311.10769188
• SMILES: Nc1ccccc1c1c(cccc1)OCc1ccccc1.Cl
• Canonical SMILES: Nc1ccccc1c1ccccc1OCc1ccccc1.Cl
• InChI: InChI=1S/C19H17NO.ClH/c20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21-14-15-8-2-1-3-9-15;/h1-13H,14,20H2;1H
• InChIKey: WSQRJJBWVIZBMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(benzyloxy)phenyl]aniline hydrochloride
• IUPAC Traditional name: 2-[2-(benzyloxy)phenyl]aniline hydrochloride
• Synonyms: 2'-Benzyloxy[1,1-biphenyl]-2-amine hydrochloride

Database IDs

• MDL Number: MFCD07366472
• PubChem SID: 162078251
• PubChem CID: 44119715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3519607
• LogD (pH = 7.4): 4.358266
• Log P: 4.358347
• Molar Refractivity: 86.9704 cm^3
• Polarizability: 34.67347 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant