General Information of the Compound
Compound ID
CP0499021
Compound Name
2-(4-bromophenyl)-N,N-dimethylethanamine
    Show/Hide
Structure
Formula
C10H14BrN
Molecular Weight
228.133
Canonical SMILES
CN(C)CCc1ccc(Br)cc1
    Show/Hide
InChI
InChI=1S/C10H14BrN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
    Show/Hide
InChIKey
RWCMKTSVOYKLQY-UHFFFAOYSA-N
Physicochemical Property
logP
2.5532
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
12

"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: 10751802
SID: 15788612
ChEMBL ID
CHEMBL476748
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 24400 nM
   TI
   LI
   LO
   TS