General Information of the Compound
Compound ID
CP0499883
Compound Name
N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine
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Structure
Formula
C20H24N2
Molecular Weight
292.426
Canonical SMILES
CN(C)CCc1cn(CCc2ccccc2)c2ccccc12
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InChI
InChI=1S/C20H24N2/c1-21(2)14-13-18-16-22(20-11-7-6-10-19(18)20)15-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
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InChIKey
YTMNPPWJTDABTJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9881
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 3028955
ChEMBL ID
CHEMBL371978
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 = 12 nM
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