3-fluoro-5-(morpholin-4-yl)aniline

• ChemBase ID: 266545
• Molecular Formular: C10H13FN2O
• Molecular Mass: 196.2214232
• Monoisotopic Mass: 196.10119127
• SMILES: c1(N2CCOCC2)cc(cc(c1)F)N
• Canonical SMILES: Nc1cc(F)cc(c1)N1CCOCC1
• InChI: InChI=1S/C10H13FN2O/c11-8-5-9(12)7-10(6-8)13-1-3-14-4-2-13/h5-7H,1-4,12H2
• InChIKey: DAZBEJAQBUHDRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-(morpholin-4-yl)aniline
• IUPAC Traditional name: 3-fluoro-5-(morpholin-4-yl)aniline
• Synonyms: 3-fluoro-5-(morpholin-4-yl)aniline

Database IDs

• MDL Number: MFCD12763355
• PubChem SID: 164322455
• PubChem CID: 22238158

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.167747
• LogD (pH = 7.4): 1.1764531
• Log P: 1.1765652
• Molar Refractivity: 54.4779 cm^3
• Polarizability: 19.627815 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 0.845

Product Information

• Purity: 95%