2-{[(2-ethoxyphenyl)methyl]amino}ethan-1-ol

• ChemBase ID: 312375
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(OCC)cccc1)CNCCO
• Canonical SMILES: OCCNCc1ccccc1OCC
• InChI: InChI=1S/C11H17NO2/c1-2-14-11-6-4-3-5-10(11)9-12-7-8-13/h3-6,12-13H,2,7-9H2,1H3
• InChIKey: KDODABKZBXHAOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2-ethoxyphenyl)methyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[(2-ethoxyphenyl)methyl]amino}ethanol
• Synonyms: 2-[(2-ethoxybenzyl)amino]ethanol

Database IDs

• CAS Number: 774192-18-6
• MDL Number: MFCD03866944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.80793
• LogD (pH = 7.4): -0.15672152
• Log P: 1.0406293
• Molar Refractivity: 56.8101 cm^3
• Polarizability: 22.354189 Å^3
• Polar Surface Area: 41.49 Å^2