[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine

C12H18Cl2N2O — CID 105270834

IUPAC[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine
SMILESCCC(OC)C(Cc1cc(Cl)ccc1Cl)NN
InChIInChI=1S/C12H18Cl2N2O/c1-3-12(17-2)11(16-15)7-8-6-9(13)4-5-10(8)14/h4-6,11-12,16H,3,7,15H2,1-2H3
InChIKeyVTKQUCJNOFRUFE-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.79
Rot. Bonds6

About [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine

[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine (PubChem CID 105270834) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine
PubChem CID105270834
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine
SMILESCCC(OC)C(Cc1cc(Cl)ccc1Cl)NN
InChIInChI=1S/C12H18Cl2N2O/c1-3-12(17-2)11(16-15)7-8-6-9(13)4-5-10(8)14/h4-6,11-12,16H,3,7,15H2,1-2H3
InChIKeyVTKQUCJNOFRUFE-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
[1-(2,5-dichlorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105309866
[1-(2-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271076
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647
[1-(2,5-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105309938
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 102623380
[2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
CID 105309863
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
3-(2-hydrazinyl-3-methoxypentyl)pyridin-4-amine
CID 105270886
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine (CID 105270834) is [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine is CCC(OC)C(Cc1cc(Cl)ccc1Cl)NN.
What is the InChIKey of [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine?
The InChIKey is VTKQUCJNOFRUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-3-12(17-2)11(16-15)7-8-6-9(13)4-5-10(8)14/h4-6,11-12,16H,3,7,15H2,1-2H3.
What are the key properties of [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine?
[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine has a molecular weight of 277.19 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105270834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).