4-fluoro-2-(morpholin-4-ylmethyl)aniline

• ChemBase ID: 49182
• Molecular Formular: C11H15FN2O
• Molecular Mass: 210.2480032
• Monoisotopic Mass: 210.11684133
• SMILES: c1(CN2CCOCC2)c(ccc(c1)F)N
• Canonical SMILES: Nc1ccc(cc1CN1CCOCC1)F
• InChI: InChI=1S/C11H15FN2O/c12-10-1-2-11(13)9(7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
• InChIKey: SKDUMUXUMJDPMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-(morpholin-4-ylmethyl)aniline
• IUPAC Traditional name: 4-fluoro-2-(morpholin-4-ylmethyl)aniline
• Synonyms: 4-Fluoro-2-(4-morpholinylmethyl)aniline

Database IDs

• MDL Number: MFCD12171373
• PubChem SID: 162053945
• PubChem CID: 21954993

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28270102
• LogD (pH = 7.4): 0.98680663
• Log P: 1.0099181
• Molar Refractivity: 58.592 cm^3
• Polarizability: 21.829727 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false