Phenethylamine, N-allyl-alpha,N-dimethyl-m-trifluoromethyl-
Basic information
- CAS
74051-02-8- Standard SMILES
C=CCN(C)C(C)Cc1cccc(C(F)(F)F)c1- InChIKey
COAOAYHTVVBTHV-UHFFFAOYSA-N- Molecular formula
- C14H18F3N
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.13913406
Names & identifiers
- Preferred name
- Phenethylamine, N-allyl-alpha,N-dimethyl-m-trifluoromethyl-
- IUPAC
- N-methyl-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
- English name
- N-Allyl-3-(trifluoromethyl)-α,N-dimethylbenzeneethanamine
- Molecular formula
- C14H18F3N
- Molecular weight
- 257.29
Names & synonyms
N-Allyl-alpha,N-dimethyl-m-trifluoromethylphenethylamine74051-02-8Phenethylamine, N-allyl-alpha,N-dimethyl-m-trifluoromethyl-RefChem:368762DTXSID30995470N-Methyl-N-{1-[3-(trifluoromethyl)phenyl]propan-2-yl}prop-2-en-1-amineN-Allyl-3-(trifluoromethyl)-α,N-dimethylbenzeneethanamineBenzeneethanamine, N,α-dimethyl-N-2-propen-1-yl-3-(trifluoromethyl)-
Database identifiers
- CAS
74051-02-8- PubChem CID
- 3057516
- DTXSID
DTXSID30995470- Nikkaji
- J71.113F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 267.3 · 267.3±40.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 8.51 · 8.51±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…