1-(2-aminoethoxy)-4-ethoxybenzene

• ChemBase ID: 114132
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(ccc(cc1)OCCN)OCC
• Canonical SMILES: NCCOc1ccc(cc1)OCC
• InChI: InChI=1S/C10H15NO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8,11H2,1H3
• InChIKey: JGSWBHOLQPOFDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-4-ethoxybenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-4-ethoxybenzene
• Synonyms: 2-(4-ethoxyphenoxy)ethanamine; [2-(4-ethoxyphenoxy)ethyl]amine

Database IDs

• MDL Number: MFCD06386692
• PubChem SID: 162100203
• PubChem CID: 2517651

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7438705
• LogD (pH = 7.4): -0.63823223
• Log P: 1.2177274
• Molar Refractivity: 51.6828 cm^3
• Polarizability: 20.571093 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.243
• Hydrophobicity(logP): 1.88

Product Information

• Purity: 95%; 95+%