1-N,1-N-diethyl-4-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-diamine

• ChemBase ID: 29646
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: c1(N(CC)CC)ccc(NCCOc2ccc(cc2)OC)cc1
• Canonical SMILES: CCN(c1ccc(cc1)NCCOc1ccc(cc1)OC)CC
• InChI: InChI=1S/C19H26N2O2/c1-4-21(5-2)17-8-6-16(7-9-17)20-14-15-23-19-12-10-18(22-3)11-13-19/h6-13,20H,4-5,14-15H2,1-3H3
• InChIKey: FADQZYOOQHKADR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-diethyl-4-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-diamine
• IUPAC Traditional name: 1-N,1-N-diethyl-4-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-diamine
• Synonyms: N1,N1-diethyl-N4-[2-(4-methoxyphenoxy)ethyl]-1,4-benzenediamine

Database IDs

• MDL Number: MFCD10688235
• PubChem SID: 160992953
• PubChem CID: 28309028

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8186061
• LogD (pH = 7.4): 3.4201844
• Log P: 3.754062
• Molar Refractivity: 97.193 cm^3
• Polarizability: 36.454678 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false