Basic information
- Standard SMILES
NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl- InChIKey
UPPHRBDFRIWMGY-UHFFFAOYSA-N- Molecular formula
- C18H16Cl3F3N2
- Average molar mass
- 423.7 g/mol
- Monoisotopic mass
- 422.033116
Names & identifiers
- Preferred name
- 1-(2-Chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl}methanamine
- IUPAC
- [2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methanamine
Names & synonyms
1-(2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl}methanamine1-{2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl}methanamineSCHEMBL5400311-{2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl) pyrrolidin-1-yl]phenyl}methanamine
Database identifiers
- PubChem CID
- 45377779
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Related reactions
5 records
Compound notes
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