N-{[4-(2-methoxyethoxy)phenyl]methyl}-3,4-dimethylaniline

• ChemBase ID: 29584
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: c1(c(ccc(c1)NCc1ccc(cc1)OCCOC)C)C
• Canonical SMILES: COCCOc1ccc(cc1)CNc1ccc(c(c1)C)C
• InChI: InChI=1S/C18H23NO2/c1-14-4-7-17(12-15(14)2)19-13-16-5-8-18(9-6-16)21-11-10-20-3/h4-9,12,19H,10-11,13H2,1-3H3
• InChIKey: BYFNCAQBTWVZFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2-methoxyethoxy)phenyl]methyl}-3,4-dimethylaniline
• IUPAC Traditional name: N-{[4-(2-methoxyethoxy)phenyl]methyl}-3,4-dimethylaniline
• Synonyms: N-[4-(2-Methoxyethoxy)benzyl]-3,4-dimethylaniline

Database IDs

• MDL Number: MFCD10688179
• PubChem SID: 160992891
• PubChem CID: 28308929

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9553652
• LogD (pH = 7.4): 3.9922025
• Log P: 3.992693
• Molar Refractivity: 88.4535 cm^3
• Polarizability: 33.337654 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false