General Information of the Compound
Compound ID
CP0497868
Compound Name
2-((2-ethoxyphenoxy)methyl)-4-isopropylmorpholine
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Synonyms
2-((2-ethoxyphenoxy)methyl)-4-isopropylmorpholine
CHEMBL495543
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Structure
Formula
C16H25NO3
Molecular Weight
279.38
Canonical SMILES
CCOc1ccccc1OCC1CN(CCO1)C(C)C
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InChI
InChI=1S/C16H25NO3/c1-4-18-15-7-5-6-8-16(15)20-12-14-11-17(13(2)3)9-10-19-14/h5-8,13-14H,4,9-12H2,1-3H3
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InChIKey
YIUUQQVMBNHWQV-UHFFFAOYSA-N
Physicochemical Property
logP
2.5733
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
30.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 12226576
ChEMBL ID
CHEMBL495543
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 9000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-((2-ethoxyphenoxy)methyl)-4-isopropylmorpholine )
Drug Name 2-((2-ethoxyphenoxy)methyl)-4-isopropylmorpholine
Target(s)
Histamine H3 receptor (H3R)
Inhibitor