[(4-ethoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 13346
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: C(CNCc1ccc(cc1)OCC)CN1CCOCC1
• Canonical SMILES: CCOc1ccc(cc1)CNCCCN1CCOCC1
• InChI: InChI=1S/C16H26N2O2/c1-2-20-16-6-4-15(5-7-16)14-17-8-3-9-18-10-12-19-13-11-18/h4-7,17H,2-3,8-14H2,1H3
• InChIKey: RKOCZCYQGXYZGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [(4-ethoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine
• Synonyms: (4-Ethoxy-benzyl)-(3-morpholin-4-yl-propyl)-amine

Database IDs

• MDL Number: MFCD01475410
• PubChem SID: 160976653
• PubChem CID: 2992508

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3175461
• LogD (pH = 7.4): -0.75364566
• Log P: 1.5908351
• Molar Refractivity: 82.4768 cm^3
• Polarizability: 32.439514 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false