2-(2,4-dimethoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 31932
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: c1(c(cc(cc1)OC)OC)C(N1CCOCC1)CN
• Canonical SMILES: NCC(c1ccc(cc1OC)OC)N1CCOCC1
• InChI: InChI=1S/C14H22N2O3/c1-17-11-3-4-12(14(9-11)18-2)13(10-15)16-5-7-19-8-6-16/h3-4,9,13H,5-8,10,15H2,1-2H3
• InChIKey: ZEJBQXZLSYSINH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,4-dimethoxyphenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(2,4-Dimethoxy-phenyl)-2-morpholin-4-yl-ethylamine

Database IDs

• MDL Number: MFCD09262181
• PubChem SID: 160995239
• PubChem CID: 16642914

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.2456882
• LogD (pH = 7.4): -0.8558788
• Log P: 0.6435829
• Molar Refractivity: 74.2216 cm^3
• Polarizability: 29.424423 Å^3
• Polar Surface Area: 56.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false