General Information of the Compound
Compound ID
CP0486789
Compound Name
1-[2-(3-methoxyphenyl)ethyl]pyrrolidine
    Show/Hide
Synonyms
1-(3-methoxyphenethyl)pyrrolidine
3-(2-pyrrolidin-1-ylethyl)anisole
CHEMBL404911
JLMYWUJQHKXCOU-UHFFFAOYSA-N
SCHEMBL10669091
    Show/Hide
Structure
Formula
C13H19NO
Molecular Weight
205.301
Canonical SMILES
COc1cccc(CCN2CCCC2)c1
    Show/Hide
InChI
InChI=1S/C13H19NO/c1-15-13-6-4-5-12(11-13)7-10-14-8-2-3-9-14/h4-6,11H,2-3,7-10H2,1H3
    Show/Hide
InChIKey
JLMYWUJQHKXCOU-UHFFFAOYSA-N
Physicochemical Property
logP
2.3335
Rotatable Bonds
4
Heavy Atom Count
15
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
15

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 18365007
ChEMBL ID
CHEMBL404911
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 = 260 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3-methoxyphenethyl)pyrrolidine )
Drug Name 1-(3-methoxyphenethyl)pyrrolidine
Target(s)
Histamine H3 receptor (H3R)
Inhibitor