ethyl[2-(3-methoxyphenoxy)ethyl]amine

• ChemBase ID: 312666
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(OC)cccc1OCCNCC
• Canonical SMILES: CCNCCOc1cccc(c1)OC
• InChI: InChI=1S/C11H17NO2/c1-3-12-7-8-14-11-6-4-5-10(9-11)13-2/h4-6,9,12H,3,7-8H2,1-2H3
• InChIKey: CDRKZAFQUWLOIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(3-methoxyphenoxy)ethyl]amine
• IUPAC Traditional name: ethyl[2-(3-methoxyphenoxy)ethyl]amine
• Synonyms: N-ethyl-2-(3-methoxyphenoxy)ethanamine

Database IDs

• CAS Number: 915923-69-2
• MDL Number: MFCD08691997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5333116
• LogD (pH = 7.4): -0.4997014
• Log P: 1.6503078
• Molar Refractivity: 56.4574 cm^3
• Polarizability: 22.415548 Å^3
• Polar Surface Area: 30.49 Å^2