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

• ChemBase ID: 94050
• Molecular Formular: C13H17F3N2O
• Molecular Mass: 274.2820896
• Monoisotopic Mass: 274.12929783
• SMILES: N1(CCOCC1)C(c1ccc(cc1)C(F)(F)F)CN
• Canonical SMILES: NCC(c1ccc(cc1)C(F)(F)F)N1CCOCC1
• InChI: InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2
• InChIKey: JFZRWJJFLWSVCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
• Synonyms: 2-(morpholin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethan-1-amine; 2-Morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethylamine

Database IDs

• MDL Number: MFCD01631947
• PubChem SID: 162080705
• PubChem CID: 3871090

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1136833
• LogD (pH = 7.4): 0.29742214
• Log P: 1.8367739
• Molar Refractivity: 67.2689 cm^3
• Polarizability: 25.439531 Å^3
• Polar Surface Area: 38.49 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.004

Safety Information

• Storage Warning: Toxic/Corrosive

Product Information

• Purity: 95%