[5-fluoro-2-(morpholin-4-yl)phenyl]methanamine

• ChemBase ID: 278376
• Molecular Formular: C11H15FN2O
• Molecular Mass: 210.2480032
• Monoisotopic Mass: 210.11684133
• SMILES: c1(c(cc(cc1)F)CN)N1CCOCC1
• Canonical SMILES: NCc1cc(F)ccc1N1CCOCC1
• InChI: InChI=1S/C11H15FN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
• InChIKey: YSBDQTCQXJCFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-fluoro-2-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [5-fluoro-2-(morpholin-4-yl)phenyl]methanamine
• Synonyms: [5-fluoro-2-(morpholin-4-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD11640132
• PubChem SID: 164334286
• PubChem CID: 43313666

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.740434
• LogD (pH = 7.4): -0.35009465
• Log P: 1.1312596
• Molar Refractivity: 58.2509 cm^3
• Polarizability: 21.827847 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.864

Product Information

• Purity: 95%