[3-fluoro-4-(morpholin-4-yl)phenyl]methanamine

• ChemBase ID: 260301
• Molecular Formular: C11H15FN2O
• Molecular Mass: 210.2480032
• Monoisotopic Mass: 210.11684133
• SMILES: c1(N2CCOCC2)c(cc(cc1)CN)F
• Canonical SMILES: NCc1ccc(c(c1)F)N1CCOCC1
• InChI: InChI=1S/C11H15FN2O/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
• InChIKey: GULVUKFJQUDLSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-fluoro-4-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [3-fluoro-4-(morpholin-4-yl)phenyl]methanamine
• Synonyms: [3-fluoro-4-(morpholin-4-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD09907400
• PubChem SID: 164316211
• PubChem CID: 11572017

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8516277
• LogD (pH = 7.4): -0.87437063
• Log P: 1.1312596
• Molar Refractivity: 58.2509 cm^3
• Polarizability: 21.828842 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Hydrophobicity(logP): 1.228

Product Information

• Purity: 95%