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

• ChemBase ID: 11687
• Molecular Formular: C14H21FN2O
• Molecular Mass: 252.3277432
• Monoisotopic Mass: 252.16379152
• SMILES: N1(CCCNCc2c(F)cccc2)CCOCC1
• Canonical SMILES: Fc1ccccc1CNCCCN1CCOCC1
• InChI: InChI=1S/C14H21FN2O/c15-14-5-2-1-4-13(14)12-16-6-3-7-17-8-10-18-11-9-17/h1-2,4-5,16H,3,6-12H2
• InChIKey: OHCCFMGQDQLZRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl][3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl][3-(morpholin-4-yl)propyl]amine
• Synonyms: (2-Fluoro-benzyl)-(3-morpholin-4-yl-propyl)-amine

Database IDs

• MDL Number: MFCD01475414
• PubChem SID: 160974994
• PubChem CID: 3151940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2369149
• LogD (pH = 7.4): -0.21108156
• Log P: 1.5344003
• Molar Refractivity: 71.4814 cm^3
• Polarizability: 27.72284 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false