[(2,5-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 14848
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: c1(c(ccc(c1)OC)OC)CNCCN1CCOCC1
• Canonical SMILES: COc1ccc(cc1CNCCN1CCOCC1)OC
• InChI: InChI=1S/C15H24N2O3/c1-18-14-3-4-15(19-2)13(11-14)12-16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,5-10,12H2,1-2H3
• InChIKey: RKLNMSOXXDGWNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,5-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: [(2,5-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine
• Synonyms: (2,5-Dimethoxy-benzyl)-(2-morpholin-4-yl-ethyl)-amine; N-(2,5-dimethoxybenzyl)-2-morpholinoethanamine

Database IDs

• MDL Number: MFCD04113961
• PubChem SID: 160978155
• PubChem CID: 2009377

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9005412
• LogD (pH = 7.4): -0.23656844
• Log P: 1.0163962
• Molar Refractivity: 79.326 cm^3
• Polarizability: 31.265074 Å^3
• Polar Surface Area: 42.96 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false