General Information of the Compound
Compound ID
CP0450382
Compound Name
2-(2-Bromophenoxy)-N,N-dimethylethanamine
    Show/Hide
Synonyms
2-(2-Bromophenoxy)-N,N-dimethylethanamine
2-(2-Dimethylaminoethoxy)-bromobenzene
2-(2-dimethylaminoethoxy)bromobenzene
886851-37-2
AC1LHJHJ
AJ-52607
AKOS000170274
AM87375
AS-44355
BDBM50307492
CHEMBL599818
DTXSID50358341
KB-323008
KS-000000PE
MCULE-8721188188
MolPort-004-331-572
SCHEMBL1857526
Y-0778
ZINC4914895
[2-(2-bromophenoxy)ethyl]dimethylamine
    Show/Hide
Structure
Formula
C10H14BrNO
Molecular Weight
244.132
Canonical SMILES
CN(C)CCOc1ccccc1Br
    Show/Hide
InChI
InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
    Show/Hide
InChIKey
OUWAXRLVNYTZJK-UHFFFAOYSA-N
Physicochemical Property
logP
2.3895
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 888311
ChEMBL ID
CHEMBL599818
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: PT00941, 5-hydroxytryptamine receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 2663 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-Bromophenoxy)-N,N-dimethylethanamine )
Drug Name 2-(2-Bromophenoxy)-N,N-dimethylethanamine
Target(s)
5-HT 7 receptor (HTR7)
 Target Info 
Inhibitor