{[3-(2-ethoxyethoxy)phenyl]methyl}[(4-methoxyphenyl)methyl]amine

• ChemBase ID: 28825
• Molecular Formular: C19H25NO3
• Molecular Mass: 315.4067
• Monoisotopic Mass: 315.18344367
• SMILES: N(Cc1ccc(cc1)OC)Cc1cc(OCCOCC)ccc1
• Canonical SMILES: CCOCCOc1cccc(c1)CNCc1ccc(cc1)OC
• InChI: InChI=1S/C19H25NO3/c1-3-22-11-12-23-19-6-4-5-17(13-19)15-20-14-16-7-9-18(21-2)10-8-16/h4-10,13,20H,3,11-12,14-15H2,1-2H3
• InChIKey: KJWAAUGADKUQEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(2-ethoxyethoxy)phenyl]methyl}[(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: {[3-(2-ethoxyethoxy)phenyl]methyl}[(4-methoxyphenyl)methyl]amine
• Synonyms: N-[3-(2-Ethoxyethoxy)benzyl](4-methoxyphenyl)-methanamine

Database IDs

• MDL Number: MFCD10687531
• PubChem SID: 160992132
• PubChem CID: 28307997

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2501723
• LogD (pH = 7.4): 1.7735515
• Log P: 3.2505577
• Molar Refractivity: 92.6371 cm^3
• Polarizability: 36.3867 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false