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

• ChemBase ID: 162164
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c1cccc(c1N)OCCOc1c(cccc1)N
• Canonical SMILES: Nc1ccccc1OCCOc1ccccc1N
• InChI: InChI=1S/C14H16N2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
• InChIKey: PSDFQEVOCCOOET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-aminophenoxy)ethoxy]aniline
• IUPAC Traditional name: 2-[2-(2-aminophenoxy)ethoxy]aniline
• Synonyms: 1,2,7,8-Dibenzo-1,8-diamino-3,6-dioxaoctane; 1,2-Di(o-aminophenoxy)ethane; 2,2'-(Ethylenedioxy)dianiline; 2,2'-[1,2-Ethanediylbis(oxy)]bis[benzenamine]; 1,2-Bis(2-aminophenoxy)ethane; 2-(2-(2-aminophenoxy)ethoxy)phenylamine

Database IDs

• CAS Number: 52411-34-4
• PubChem SID: 162256299
• PubChem CID: 1811074

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7479675
• LogD (pH = 7.4): 1.8010654
• Log P: 1.8017722
• Molar Refractivity: 72.4742 cm^3
• Polarizability: 27.242132 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethanol; Tetrahydrofuran
• Apperance: Off-White Crystalline Solid

Product Information

• Purity: 98%