2-(4-ethoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 19089
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: N1(C(c2ccc(cc2)OCC)CN)CCOCC1
• Canonical SMILES: NCC(c1ccc(cc1)OCC)N1CCOCC1
• InChI: InChI=1S/C14H22N2O2/c1-2-18-13-5-3-12(4-6-13)14(11-15)16-7-9-17-10-8-16/h3-6,14H,2,7-11,15H2,1H3
• InChIKey: DYMOSECQTNSXEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-ethoxyphenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(4-Ethoxy-phenyl)-2-morpholin-4-yl-ethylamine

Database IDs

• MDL Number: MFCD08437448
• PubChem SID: 160982396
• PubChem CID: 16461913

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7881942
• LogD (pH = 7.4): -0.4109163
• Log P: 1.1580621
• Molar Refractivity: 72.507 cm^3
• Polarizability: 28.750868 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false