Basic information
- CAS
37822-90-5- Standard SMILES
CC#CN[C@@H](C)Cc1cccc(C(F)(F)F)c1- InChIKey
DFEAUNLCJKOORV-JTQLQIEISA-N- Molecular formula
- C13H14F3N
- Average molar mass
- 241.25 g/mol
- Monoisotopic mass
- 241.10783394
Names & identifiers
- Preferred name
- Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl-, d-
- IUPAC
- (2S)-N-prop-1-ynyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
- English name
- (αS)-α-Methyl-N-(2-propynyl)-3-(trifluoromethyl)benzeneethanamine
- Molecular weight
- 0
Names & synonyms
Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl-, d-37822-90-5RefChem:1094716d-alpha-Methyl-N-(2-propynyl)-m-trifluoromethylphenethylamine(αS)-α-Methyl-N-(2-propynyl)-3-(trifluoromethyl)benzeneethanamine
Database identifiers
- CAS
37822-90-5- PubChem CID
- 216871
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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