General Information of the Compound
Compound ID
CP0522091
Compound Name
1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine
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Structure
Formula
C11H18N2O
Molecular Weight
194.278
Canonical SMILES
COC(CN(C)N)c1cccc(C)c1
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InChI
InChI=1S/C11H18N2O/c1-9-5-4-6-10(7-9)11(14-3)8-13(2)12/h4-7,11H,8,12H2,1-3H3
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InChIKey
HNPYNQQNROHHQT-UHFFFAOYSA-N
Physicochemical Property
logP
1.48802
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
38.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 46929849
SID: 99435790
ChEMBL ID
CHEMBL1241330
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: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 323.59 nM
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