4-(2-{[2-(4-aminophenyl)ethyl](methyl)amino}ethoxy)aniline

• ChemBase ID: 287418
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: CN(CCOc1ccc(N)cc1)CCc1ccc(N)cc1
• Canonical SMILES: CN(CCc1ccc(cc1)N)CCOc1ccc(cc1)N
• InChI: InChI=1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3
• InChIKey: QZYRUZJJDBUKII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{[2-(4-aminophenyl)ethyl](methyl)amino}ethoxy)aniline
• IUPAC Traditional name: 4-(2-{[2-(4-aminophenyl)ethyl](methyl)amino}ethoxy)aniline
• Synonyms: N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ehtanamine

Database IDs

• CAS Number: 115256-13-8
• PubChem SID: 180672949
• PubChem CID: 14645098

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2397
• LogD (pH = 7.4): 0.42296028
• Log P: 2.1895015
• Molar Refractivity: 89.3087 cm^3
• Polarizability: 33.55736 Å^3
• Polar Surface Area: 64.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%