General Information of the Compound
Compound ID
CP0562512
Compound Name
(2R)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
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Synonyms
(R)-1-(2-methoxyphenethyl)-2-methylpyrrolidine
CHEMBL404375
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Structure
Formula
C14H21NO
Molecular Weight
219.328
Canonical SMILES
COc1ccccc1CCN1CCC[C@H]1C
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InChI
InChI=1S/C14H21NO/c1-12-6-5-10-15(12)11-9-13-7-3-4-8-14(13)16-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m1/s1
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InChIKey
KDVUGYDZNTZESD-GFCCVEGCSA-N
Physicochemical Property
logP
2.722
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44456095
ChEMBL ID
CHEMBL404375
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 35 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-1-(2-methoxyphenethyl)-2-methylpyrrolidine )
Drug Name (R)-1-(2-methoxyphenethyl)-2-methylpyrrolidine
Target(s)
Histamine H3 receptor (H3R)
Inhibitor