[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

C13H20Cl2N2O2 — CID 102929753

IUPAC[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C13H20Cl2N2O2/c1-18-6-7-19-5-4-11(17-16)8-10-2-3-12(14)13(15)9-10/h2-3,9,11,17H,4-8,16H2,1H3
InChIKeyNGEURWQQCAVYIB-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.42
Rot. Bonds9

About [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (PubChem CID 102929753) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
PubChem CID102929753
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C13H20Cl2N2O2/c1-18-6-7-19-5-4-11(17-16)8-10-2-3-12(14)13(15)9-10/h2-3,9,11,17H,4-8,16H2,1H3
InChIKeyNGEURWQQCAVYIB-UHFFFAOYSA-N
XLogP2.42
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105225978
[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105210859

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (CID 102929753) is [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is COCCOCCC(Cc1ccc(Cl)c(Cl)c1)NN.
What is the InChIKey of [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The InChIKey is NGEURWQQCAVYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2/c1-18-6-7-19-5-4-11(17-16)8-10-2-3-12(14)13(15)9-10/h2-3,9,11,17H,4-8,16H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine has a molecular weight of 307.22 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 102929753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).