[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine

C11H16Cl2N2O — CID 105235527

IUPAC[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
SMILESCOc1cc(C(CCCCl)NN)ccc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-16-11-7-8(4-5-9(11)13)10(15-14)3-2-6-12/h4-5,7,10,15H,2-3,6,14H2,1H3
InChIKeyAIGGTDJVZOQGFO-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.87
Rot. Bonds6

About [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine

[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine (PubChem CID 105235527) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
PubChem CID105235527
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
SMILESCOc1cc(C(CCCCl)NN)ccc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-16-11-7-8(4-5-9(11)13)10(15-14)3-2-6-12/h4-5,7,10,15H,2-3,6,14H2,1H3
InChIKeyAIGGTDJVZOQGFO-UHFFFAOYSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine
CID 105320834
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
CID 105235772
[1-(4-chloro-3-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195152
[1-(4-chloro-3-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105209707
[1-(4-chloro-3-methoxyphenyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105320863
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
[1-(4-chloro-3-methoxyphenyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211263
[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105320716
[(4-chloro-3-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105320846
[1-(4-chloro-3-methoxyphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105320864
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine?
The IUPAC name of [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine (CID 105235527) is [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine.
What is the SMILES notation for [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine?
The canonical SMILES for [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine is COc1cc(C(CCCCl)NN)ccc1Cl.
What is the InChIKey of [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine?
The InChIKey is AIGGTDJVZOQGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-16-11-7-8(4-5-9(11)13)10(15-14)3-2-6-12/h4-5,7,10,15H,2-3,6,14H2,1H3.
What are the key properties of [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine?
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine has a molecular weight of 263.17 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine is sourced from PubChem (CID 105235527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).