4-[2-(4-aminophenoxy)ethoxy]aniline

• ChemBase ID: 286904
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: Nc1ccc(OCCOc2ccc(cc2)N)cc1
• Canonical SMILES: Nc1ccc(cc1)OCCOc1ccc(cc1)N
• InChI: InChI=1S/C14H16N2O2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10,15-16H2
• InChIKey: HHDFKOSSEXYTJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-aminophenoxy)ethoxy]aniline
• IUPAC Traditional name: 4-[2-(4-aminophenoxy)ethoxy]aniline
• Synonyms: 4,4'-(Ethane-1,2-diylbis(oxy))dianiline

Database IDs

• CAS Number: 6052-10-4
• MDL Number: MFCD13185980
• PubChem SID: 180672435
• PubChem CID: 60361

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5972426
• LogD (pH = 7.4): 1.7988342
• Log P: 1.8017722
• Molar Refractivity: 72.4742 cm^3
• Polarizability: 27.237835 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%