Phenethylamine, N-butyl-alpha-methyl-m-trifluoromethyl-
Basic information
- CAS
52742-18-4- Standard SMILES
CCCCNC(C)Cc1cccc(C(F)(F)F)c1- InChIKey
VCYPVYLZISLFHR-UHFFFAOYSA-N- Molecular formula
- C14H20F3N
- Average molar mass
- 259.31 g/mol
- Monoisotopic mass
- 259.15478413
Names & identifiers
- Preferred name
- Phenethylamine, N-butyl-alpha-methyl-m-trifluoromethyl-
- IUPAC
- N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butan-1-amine
- English name
- N-Butyl-3-(trifluoromethyl)-α-methylbenzeneethanamine
- Molecular formula
- C14H20F3N
- Molecular weight
- 259.31
Names & synonyms
52742-18-4N-Butyl-alpha-methyl-m-trifluoromethylphenethylaminePhenethylamine, N-butyl-alpha-methyl-m-trifluoromethyl-RefChem:368769N-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amineN-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butan-1-amineN-Butyl-3-(trifluoromethyl)-alpha-methylbenzeneethanamineN-{1-[3-(Trifluoromethyl)phenyl]propan-2-yl}butan-1-amineSCHEMBL28403791DTXSID70967191VCYPVYLZISLFHR-UHFFFAOYSA-NMFCD01708386
Show more names
N-Butyl-3-(trifluoromethyl)-α-methylbenzeneethanamineN-butyl-α-methyl-3-(trifluoromethyl)-benzeneethanamineBenzeneethanamine, N-butyl-α-methyl-3-(trifluoromethyl)-
AKOS028108744DS-19358DB-321017N-Butyl-3-(trifluoromethyl)-|A-methylbenzeneethanamineN-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]butan-1-amine
Database identifiers
- CAS
52742-18-4- PubChem CID
- 3040641
- DTXSID
DTXSID70967191- Nikkaji
- J71.125J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 280.3 · 280.3±35.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.31 · 10.31±0.29(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesN-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amine is a reactant in the synthesis of N-alkyl-N-hydroxyamphetamines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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