4-methoxy-3-(4-methoxyphenoxy)aniline

• ChemBase ID: 253215
• Molecular Formular: C14H15NO3
• Molecular Mass: 245.2738
• Monoisotopic Mass: 245.10519335
• SMILES: c1(cc(N)ccc1OC)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1cc(N)ccc1OC
• InChI: InChI=1S/C14H15NO3/c1-16-11-4-6-12(7-5-11)18-14-9-10(15)3-8-13(14)17-2/h3-9H,15H2,1-2H3
• InChIKey: KSAGNEDDVQISQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(4-methoxyphenoxy)aniline
• IUPAC Traditional name: 4-methoxy-3-(4-methoxyphenoxy)aniline
• Synonyms: 4-methoxy-3-(4-methoxyphenoxy)aniline

Database IDs

• CAS Number: 14064-97-2
• MDL Number: MFCD08729261
• PubChem SID: 164309125
• PubChem CID: 16227698

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2983136
• LogD (pH = 7.4): 2.3288608
• Log P: 2.3292644
• Molar Refractivity: 69.9256 cm^3
• Polarizability: 26.82853 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.671

Product Information

• Purity: 95%