General Information of the Compound
Compound ID
CP0406045
Compound Name
1-[2-(4-methoxyphenyl)ethyl]-1-(2-methylpropyl)hydrazine
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Structure
Formula
C13H22N2O
Molecular Weight
222.332
Canonical SMILES
COc1ccc(CCN(N)CC(C)C)cc1
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InChI
InChI=1S/C13H22N2O/c1-11(2)10-15(14)9-8-12-4-6-13(16-3)7-5-12/h4-7,11H,8-10,14H2,1-3H3
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InChIKey
OSCSOCYOPLCFBM-UHFFFAOYSA-N
Physicochemical Property
logP
2.0694
Rotatable Bonds
6
Heavy Atom Count
16
Polar Areas
38.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 46929424
SID: 99435365
ChEMBL ID
CHEMBL1241068
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 = 257.04 nM
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