({4-[(4-chlorophenyl)methoxy]phenyl}methyl)(methyl)amine hydrochloride

• ChemBase ID: 248185
• Molecular Formular: C15H17Cl2NO
• Molecular Mass: 298.20758
• Monoisotopic Mass: 297.06871953
• SMILES: O(c1ccc(cc1)CNC)Cc1ccc(Cl)cc1.Cl
• Canonical SMILES: CNCc1ccc(cc1)OCc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C15H16ClNO.ClH/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13;/h2-9,17H,10-11H2,1H3;1H
• InChIKey: CGGHVXTWMDVEDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-[(4-chlorophenyl)methoxy]phenyl}methyl)(methyl)amine hydrochloride
• IUPAC Traditional name: ({4-[(4-chlorophenyl)methoxy]phenyl}methyl)(methyl)amine hydrochloride
• Synonyms: N-{4-[(4-chlorobenzyl)oxy]benzyl}-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD07106769
• PubChem SID: 164304095
• PubChem CID: 6458719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.51787794
• LogD (pH = 7.4): 1.5455345
• Log P: 3.7024412
• Molar Refractivity: 75.1866 cm^3
• Polarizability: 29.508047 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.91

Product Information

• Purity: 95%
• Salt Data: HCl