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

• ChemBase ID: 264449
• Molecular Formular: C13H19F3N2
• Molecular Mass: 260.2985696
• Monoisotopic Mass: 260.15003328
• SMILES: C(c1ccc(C(N(CC)CC)CN)cc1)(F)(F)F
• Canonical SMILES: NCC(c1ccc(cc1)C(F)(F)F)N(CC)CC
• InChI: InChI=1S/C13H19F3N2/c1-3-18(4-2)12(9-17)10-5-7-11(8-6-10)13(14,15)16/h5-8,12H,3-4,9,17H2,1-2H3
• InChIKey: RDIPAVQWDCEASO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}diethylamine
• IUPAC Traditional name: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}diethylamine
• Synonyms: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}diethylamine

Database IDs

• MDL Number: MFCD08059512
• PubChem SID: 164320359
• PubChem CID: 16795423

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5972903
• LogD (pH = 7.4): 0.714513
• Log P: 2.7688901
• Molar Refractivity: 67.6916 cm^3
• Polarizability: 25.396921 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.254

Product Information

• Purity: 95%