1-(2-aminoethoxy)-2-ethoxybenzene

• ChemBase ID: 90647
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: O(c1c(cccc1)OCCN)CC
• Canonical SMILES: NCCOc1ccccc1OCC
• InChI: InChI=1S/C10H15NO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8,11H2,1H3
• InChIKey: OOKCBENPEIHOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-ethoxybenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-ethoxybenzene
• Synonyms: 2-(2-Ethoxyphenoxy)ethylamine; beta-Amino-2-ethoxyphenetole; 2-(2-Aminoethoxy)phenetole

Database IDs

• CAS Number: 6781-17-5
• MDL Number: MFCD06657756
• PubChem SID: 162077426
• PubChem CID: 5303042

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7438604
• LogD (pH = 7.4): -0.6381709
• Log P: 1.2177274
• Molar Refractivity: 51.6828 cm^3
• Polarizability: 20.573565 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon/Keep Cold