General Information of the Compound
Compound ID
CP0038862
Compound Name
2-[3-(2,6-dimethylphenyl)phenyl]-N,N-dimethylethanamine
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Structure
Formula
C18H23N
Molecular Weight
253.389
Canonical SMILES
CN(C)CCc1cccc(c1)-c1c(C)cccc1C
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InChI
InChI=1S/C18H23N/c1-14-7-5-8-15(2)18(14)17-10-6-9-16(13-17)11-12-19(3)4/h5-10,13H,11-12H2,1-4H3
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InChIKey
LTJIRTYYFFZVOW-UHFFFAOYSA-N
Physicochemical Property
logP
4.07454
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 24963856
SID: 56261977
ChEMBL ID
CHEMBL234881
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 6.2 nM
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