[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine

C13H20Cl2N2O — CID 105293129

IUPAC[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C13H20Cl2N2O/c1-2-7-18-8-6-10(17-16)9-11-12(14)4-3-5-13(11)15/h3-5,10,17H,2,6-9,16H2,1H3
InChIKeyARUWAZIXRNSWGR-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.18
Rot. Bonds8

About [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine

[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 105293129) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
PubChem CID105293129
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C13H20Cl2N2O/c1-2-7-18-8-6-10(17-16)9-11-12(14)4-3-5-13(11)15/h3-5,10,17H,2,6-9,16H2,1H3
InChIKeyARUWAZIXRNSWGR-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151588
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105342708
[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
[1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105296397
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
[1-(2,6-dichlorophenyl)-4-methoxypentan-2-yl]hydrazine
CID 105266951
(1-phenyl-5-propoxypentan-3-yl)hydrazine
CID 105285874

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine (CID 105293129) is [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1c(Cl)cccc1Cl)NN.
What is the InChIKey of [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is ARUWAZIXRNSWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-2-7-18-8-6-10(17-16)9-11-12(14)4-3-5-13(11)15/h3-5,10,17H,2,6-9,16H2,1H3.
What are the key properties of [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine?
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine has a molecular weight of 291.22 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105293129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).