1-arylmethylpyrrolidin-2-yl ethanol amine

Ligand id: 711

Name: 1-arylmethylpyrrolidin-2-yl ethanol amine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 87.53
Molecular weight 433.22
XLogP 5.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{[(2R)-2-[(1R)-2-{[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino}-1-hydroxyethyl]pyrrolidin-1-yl]methyl}benzonitrile
Synonyms
compound 26a [PMID: 16216508] [1]
Database Links
BindingDB Ligand 50175363
ChEMBL Ligand CHEMBL200312
PubChem CID 44405854
Search Google for chemical match using the InChIKey HCLQARMRCPEALF-DNQXCXABSA-N
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Search UniChem for chemical match using the InChIKey HCLQARMRCPEALF-DNQXCXABSA-N
Search UniChem for chemicals with the same backbone HCLQARMRCPEALF