[4-(morpholin-4-yl)-2-(trifluoromethyl)phenyl]methanamine

• ChemBase ID: 259523
• Molecular Formular: C12H15F3N2O
• Molecular Mass: 260.2555096
• Monoisotopic Mass: 260.11364777
• SMILES: C(c1cc(N2CCOCC2)ccc1CN)(F)(F)F
• Canonical SMILES: NCc1ccc(cc1C(F)(F)F)N1CCOCC1
• InChI: InChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(2-1-9(11)8-16)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
• InChIKey: COWJRZUKFFPOFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(morpholin-4-yl)-2-(trifluoromethyl)phenyl]methanamine
• IUPAC Traditional name: [4-(morpholin-4-yl)-2-(trifluoromethyl)phenyl]methanamine
• Synonyms: [4-(morpholin-4-yl)-2-(trifluoromethyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD11178495
• PubChem SID: 164315433
• PubChem CID: 39869111

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1040217
• LogD (pH = 7.4): -0.046222966
• Log P: 1.8664061
• Molar Refractivity: 64.0082 cm^3
• Polarizability: 23.269096 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.096

Product Information

• Purity: 95%