5-fluoro-2-(morpholin-4-yl)aniline

• ChemBase ID: 31330
• Molecular Formular: C10H13FN2O
• Molecular Mass: 196.2214232
• Monoisotopic Mass: 196.10119127
• SMILES: c1(N2CCOCC2)c(cc(cc1)F)N
• Canonical SMILES: Fc1ccc(c(c1)N)N1CCOCC1
• InChI: InChI=1S/C10H13FN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• InChIKey: NSVHSRBHIFWVGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(morpholin-4-yl)aniline
• IUPAC Traditional name: 5-fluoro-2-(morpholin-4-yl)aniline
• Synonyms: 5-Fluoro-2-morpholin-4-yl-phenylamine

Database IDs

• MDL Number: MFCD04971024
• PubChem SID: 160994637
• PubChem CID: 6485404

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1756386
• LogD (pH = 7.4): 1.1765535
• Log P: 1.1765652
• Molar Refractivity: 54.4779 cm^3
• Polarizability: 19.62789 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false