{2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride

• ChemBase ID: 94049
• Molecular Formular: C11H17Cl2F3N2
• Molecular Mass: 305.1672896
• Monoisotopic Mass: 304.07208857
• SMILES: NCC(c1ccc(cc1)C(F)(F)F)N(C)C.Cl.Cl
• Canonical SMILES: NCC(c1ccc(cc1)C(F)(F)F)N(C)C.Cl.Cl
• InChI: InChI=1S/C11H15F3N2.2ClH/c1-16(2)10(7-15)8-3-5-9(6-4-8)11(12,13)14;;/h3-6,10H,7,15H2,1-2H3;2*1H
• InChIKey: AZJWIJQUEOEKCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride
• IUPAC Traditional name: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride
• Synonyms: {2-Amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride; 2-(Dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethylamine dihydrochloride

Database IDs

• MDL Number: MFCD03840183
• PubChem SID: 162080704
• PubChem CID: 17998873

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.893586
• LogD (pH = 7.4): 0.30250716
• Log P: 2.0552742
• Molar Refractivity: 58.1944 cm^3
• Polarizability: 21.750853 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant