1-[5-fluoro-2-(morpholin-4-yl)phenyl]ethan-1-amine

• ChemBase ID: 270732
• Molecular Formular: C12H17FN2O
• Molecular Mass: 224.2745832
• Monoisotopic Mass: 224.13249139
• SMILES: c1(c(N2CCOCC2)ccc(c1)F)C(N)C
• Canonical SMILES: Fc1ccc(c(c1)C(N)C)N1CCOCC1
• InChI: InChI=1S/C12H17FN2O/c1-9(14)11-8-10(13)2-3-12(11)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3
• InChIKey: VJANOVQGPHPKAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-fluoro-2-(morpholin-4-yl)phenyl]ethan-1-amine
• IUPAC Traditional name: 1-[5-fluoro-2-(morpholin-4-yl)phenyl]ethanamine
• Synonyms: 1-[5-fluoro-2-(morpholin-4-yl)phenyl]ethan-1-amine

Database IDs

• MDL Number: MFCD11137041
• PubChem SID: 164326642
• PubChem CID: 43188719

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3836507
• LogD (pH = 7.4): -0.15184419
• Log P: 1.5478346
• Molar Refractivity: 62.6697 cm^3
• Polarizability: 23.663101 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.173

Product Information

• Purity: 95%