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

C14H20Cl2N2O — CID 105200125

IUPAC[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCO1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c15-11-4-3-10(14(16)9-11)8-12(18-17)5-6-13-2-1-7-19-13/h3-4,9,12-13,18H,1-2,5-8,17H2
InChIKeyNKGPNYYAFQYRDS-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.33
Rot. Bonds6

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

[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine (PubChem CID 105200125) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
PubChem CID105200125
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCO1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c15-11-4-3-10(14(16)9-11)8-12(18-17)5-6-13-2-1-7-19-13/h3-4,9,12-13,18H,1-2,5-8,17H2
InChIKeyNKGPNYYAFQYRDS-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.33
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-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105210871
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
1-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 105037671
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
1,4-bis(oxolan-2-yl)butan-2-ylhydrazine
CID 105198575
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine (CID 105200125) is [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine is NNC(CCC1CCCO1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The InChIKey is NKGPNYYAFQYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c15-11-4-3-10(14(16)9-11)8-12(18-17)5-6-13-2-1-7-19-13/h3-4,9,12-13,18H,1-2,5-8,17H2.
What are the key properties of [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine has a molecular weight of 303.23 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105200125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).