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

• ChemBase ID: 13342
• Molecular Formular: C14H21FN2O
• Molecular Mass: 252.3277432
• Monoisotopic Mass: 252.16379152
• SMILES: C1OCCN(C1)CCCNCc1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)CNCCCN1CCOCC1
• InChI: InChI=1S/C14H21FN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2
• InChIKey: ZSYQXTSWVRPLFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03724727
• PubChem SID: 160976649
• PubChem CID: 3152143

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.336971
• LogD (pH = 7.4): -0.6498127
• Log P: 1.5344003
• Molar Refractivity: 71.4814 cm^3
• Polarizability: 27.722971 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