(4-ethoxyphenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 257139
• Molecular Formular: C15H18ClNO
• Molecular Mass: 263.76252
• Monoisotopic Mass: 263.10769188
• SMILES: C(c1ccc(cc1)OCC)(c1ccccc1)N.Cl
• Canonical SMILES: CCOc1ccc(cc1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C15H17NO.ClH/c1-2-17-14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12;/h3-11,15H,2,16H2,1H3;1H
• InChIKey: HEOYSYDJNVFCPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxyphenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-ethoxyphenyl)(phenyl)methanamine hydrochloride
• Synonyms: (4-ethoxyphenyl)(phenyl)methylamine hydrochloride

Database IDs

• MDL Number: MFCD08276236
• PubChem SID: 164313049
• PubChem CID: 42944924

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.4453799
• Log P: 3.082391
• Molar Refractivity: 70.026 cm^3
• Polarizability: 27.697357 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16573073

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.89

Product Information

• Purity: 95%