General Information of the Compound
Compound ID
CP0083134
Compound Name
N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine
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Synonyms
BDBM50210123
CHEMBL395870
N,N-dimethyl-2-(2''-methylbiphenyl-3-yl)ethanamine
N,N-dimethyl-2-(2'-methylbiphenyl-3-yl)ethanamine
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Structure
Formula
C17H21N
Molecular Weight
239.362
Canonical SMILES
CN(C)CCc1cccc(c1)-c1ccccc1C
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InChI
InChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3
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InChIKey
HOMNPSYKSQTOHK-UHFFFAOYSA-N
Physicochemical Property
logP
3.76612
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 16747715
SID: 26733750
ChEMBL ID
CHEMBL395870
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 = 7.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 7.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N,N-dimethyl-2-(2'-methylbiphenyl-3-yl)ethanamine )
Drug Name N,N-dimethyl-2-(2'-methylbiphenyl-3-yl)ethanamine
Target(s)
5-HT 7 receptor (HTR7)
Inhibitor