2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzyl)-pyrrolidin-3-yl]-ethyl-bromide

HCID 53709262
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Basic information

Standard SMILES
COc1cc(CN2CCC(CCBr)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
InChIKey
BZIYLVOVUNZUOL-UHFFFAOYSA-N
Molecular formula
C22H26BrCl2NO3
Average molar mass
503.3 g/mol

Names & identifiers

Preferred name
2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzyl)-pyrrolidin-3-yl]-ethyl-bromide
IUPAC
3-(2-bromoethyl)-3-(3,4-dichlorophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine

Names & synonyms

SCHEMBL8356000BZIYLVOVUNZUOL-UHFFFAOYSA-N2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzyl)-pyrrolidin-3-yl]-ethyl-bromide

Database identifiers

PubChem CID
53709262

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
30.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
29

Related reactions

7 records
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Compound notes

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