[(2-chlorophenyl)methyl]({[2-(2-methoxyethoxy)phenyl]methyl})amine

• ChemBase ID: 28785
• Molecular Formular: C17H20ClNO2
• Molecular Mass: 305.7992
• Monoisotopic Mass: 305.11825657
• SMILES: c1(c(Cl)cccc1)CNCc1c(OCCOC)cccc1
• Canonical SMILES: COCCOc1ccccc1CNCc1ccccc1Cl
• InChI: InChI=1S/C17H20ClNO2/c1-20-10-11-21-17-9-5-3-7-15(17)13-19-12-14-6-2-4-8-16(14)18/h2-9,19H,10-13H2,1H3
• InChIKey: HIOIAIPYYIWXNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl]({[2-(2-methoxyethoxy)phenyl]methyl})amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl]({[2-(2-methoxyethoxy)phenyl]methyl})amine
• Synonyms: (2-Chlorophenyl)-N-[2-(2-methoxyethoxy)benzyl]-methanamine

Database IDs

• MDL Number: MFCD10687500
• PubChem SID: 160992092
• PubChem CID: 28307935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3545114
• LogD (pH = 7.4): 3.0731041
• Log P: 3.6554656
• Molar Refractivity: 86.2301 cm^3
• Polarizability: 33.883427 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false