Basic information
- Standard SMILES
C=CCC(Nc1ccc(C(C)C)cc1)c1ccc(C(F)(F)F)cc1- InChIKey
GLZOCLQVGNIZPY-UHFFFAOYSA-N- Molecular formula
- C20H22F3N
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17043419
Names & identifiers
- Preferred name
- (+/-)-(4-Isopropylphenyl){1-[4-(trifluoromethyl)phenyl]but-3-en-1-yl}amine
- IUPAC
- 4-propan-2-yl-N-[1-[4-(trifluoromethyl)phenyl]but-3-enyl]aniline
Names & synonyms
(+/-)-(4-isopropylphenyl){1-[4-(trifluoromethyl)phenyl]but-3-en-1-yl}amineSCHEMBL2859953
Database identifiers
- PubChem CID
- 68420155
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 375
Related reactions
1 records
Compound notes
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