[(4-methoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 13399
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: c1c(ccc(c1)CNCCN1CCOCC1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCN1CCOCC1
• InChI: InChI=1S/C14H22N2O2/c1-17-14-4-2-13(3-5-14)12-15-6-7-16-8-10-18-11-9-16/h2-5,15H,6-12H2,1H3
• InChIKey: OFSPJMCOJMZMPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine
• Synonyms: (4-Methoxy-benzyl)-(2-morpholin-4-yl-ethyl)-amine; N-(4-methoxybenzyl)-2-morpholinoethanamine

Database IDs

• MDL Number: MFCD03724749
• PubChem SID: 160976706
• PubChem CID: 3152375

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.999637
• LogD (pH = 7.4): -0.6872991
• Log P: 1.1740675
• Molar Refractivity: 72.8628 cm^3
• Polarizability: 28.75173 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false