General Information of the Compound
Compound ID
CP0498747
Compound Name
N,N-dimethyl-2-(2-methyl-1H-indol-3-yl)ethanamine
    Show/Hide
Structure
Formula
C13H18N2
Molecular Weight
202.301
Canonical SMILES
CN(C)CCc1c(C)[nH]c2ccccc12
    Show/Hide
InChI
InChI=1S/C13H18N2/c1-10-11(8-9-15(2)3)12-6-4-5-7-13(12)14-10/h4-7,14H,8-9H2,1-3H3
    Show/Hide
InChIKey
NDGCOWDSLVNLGE-UHFFFAOYSA-N
Physicochemical Property
logP
2.58042
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 11820174
SID: 16936728
ChEMBL ID
CHEMBL7580
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 300 nM
   TI
   LI
   LO
   TS