[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine

C12H18Cl2N2O — CID 105271084

IUPAC[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine
SMILESCCOC(CC)C(NN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c1-3-11(17-4-2)12(16-15)8-5-6-9(13)10(14)7-8/h5-7,11-12,16H,3-4,15H2,1-2H3
InChIKeyJNUCOUUIHVFRQU-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.31
Rot. Bonds6

About [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine

[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine (PubChem CID 105271084) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.20 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine
PubChem CID105271084
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.20 g/mol
Exact Mass276.08
IUPAC Name[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine
SMILESCCOC(CC)C(NN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c1-3-11(17-4-2)12(16-15)8-5-6-9(13)10(14)7-8/h5-7,11-12,16H,3-4,15H2,1-2H3
InChIKeyJNUCOUUIHVFRQU-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.31
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-(4-chlorophenyl)-2-ethoxybutyl]hydrazine
CID 105271035
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
[1-(5-chlorothiophen-2-yl)-2-ethoxybutyl]hydrazine
CID 105271107
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271122
1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
CID 116715205
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
CID 105397975
[1-(3,4-dichlorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105257205
[1-(3,4-dichlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105281333
[1-(3,4-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 105270775
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
[2-ethoxy-1-(2-methylpyrazol-3-yl)butyl]hydrazine
CID 105270924

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine?
The IUPAC name of [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine (CID 105271084) is [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine is CCOC(CC)C(NN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine?
The InChIKey is JNUCOUUIHVFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-3-11(17-4-2)12(16-15)8-5-6-9(13)10(14)7-8/h5-7,11-12,16H,3-4,15H2,1-2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine?
[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine has a molecular weight of 277.20 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine is sourced from PubChem (CID 105271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).