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

• ChemBase ID: 13400
• Molecular Formular: C13H19FN2O
• Molecular Mass: 238.3011632
• Monoisotopic Mass: 238.14814146
• SMILES: c1(ccc(cc1)F)CNCCN1CCOCC1
• Canonical SMILES: Fc1ccc(cc1)CNCCN1CCOCC1
• InChI: InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-15-5-6-16-7-9-17-10-8-16/h1-4,15H,5-11H2
• InChIKey: RBDOLGPRWKKECN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl][2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl][2-(morpholin-4-yl)ethyl]amine
• Synonyms: (4-Fluoro-benzyl)-(2-morpholin-4-yl-ethyl)-amine

Database IDs

• MDL Number: MFCD03724750
• PubChem SID: 160976707
• PubChem CID: 3152376

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6713309
• LogD (pH = 7.4): -0.28807068
• Log P: 1.4744407
• Molar Refractivity: 66.616 cm^3
• Polarizability: 25.883097 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false