2-(benzyloxy)-4-methylaniline hydrochloride

• ChemBase ID: 19885
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: c1(c(ccc(c1)C)N)OCc1ccccc1.Cl
• Canonical SMILES: Cc1ccc(c(c1)OCc1ccccc1)N.Cl
• InChI: InChI=1S/C14H15NO.ClH/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12;/h2-9H,10,15H2,1H3;1H
• InChIKey: VOVNTIGTPXJWHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-methylaniline hydrochloride
• IUPAC Traditional name: 2-(benzyloxy)-4-methylaniline hydrochloride
• Synonyms: 2-(Benzyloxy)-4-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD09997921
• PubChem SID: 160983192
• PubChem CID: 46735567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1542304
• LogD (pH = 7.4): 3.2235823
• Log P: 3.224543
• Molar Refractivity: 66.8754 cm^3
• Polarizability: 25.37263 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false