General Information of the Compound
Compound ID
CP0092791
Compound Name
2-[3-(2-methoxyphenyl)phenyl]-N,N-dimethylethanamine
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Structure
Formula
C17H21NO
Molecular Weight
255.361
Canonical SMILES
COc1ccccc1-c1cccc(CCN(C)C)c1
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InChI
InChI=1S/C17H21NO/c1-18(2)12-11-14-7-6-8-15(13-14)16-9-4-5-10-17(16)19-3/h4-10,13H,11-12H2,1-3H3
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InChIKey
JVXAQBSXVBJSMO-UHFFFAOYSA-N
Physicochemical Property
logP
3.4663
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 24964217
SID: 56262343
ChEMBL ID
CHEMBL232792
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 = 8.4 nM
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