General Information of the Compound
Compound ID
CP0539306
Compound Name
2-(Biphenyl-2-yloxy)-N,N-dimethylethanamine
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Synonyms
2-(Biphenyl-2-yloxy)-N,N-dimethylethanamine
AC1LHJ83
BDBM50307494
CHEMBL20666
MCULE-6428005896
N,N-dimethyl-2-(2-phenylphenoxy)ethanamine
ZINC4913607
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Structure
Formula
C16H19NO
Molecular Weight
241.334
Canonical SMILES
CN(C)CCOc1ccccc1-c1ccccc1
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InChI
InChI=1S/C16H19NO/c1-17(2)12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
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InChIKey
HEGXUUYKFGNKJB-UHFFFAOYSA-N
Physicochemical Property
logP
3.294
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 888197
ChEMBL ID
CHEMBL20666
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 156 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(Biphenyl-2-yloxy)-N,N-dimethylethanamine )
Drug Name 2-(Biphenyl-2-yloxy)-N,N-dimethylethanamine
Target(s)
5-HT 7 receptor (HTR7)
Inhibitor