1-(2-Chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl}methanamine

HCID 45377779

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

Related reactions

5 records

Compound notes

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