[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine

C14H19ClN2O — CID 105338554

IUPAC[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H19ClN2O/c1-3-4-9(2)14(17-16)13-8-10-7-11(15)5-6-12(10)18-13/h5-9,14,17H,3-4,16H2,1-2H3
InChIKeyNZBYVVMCZXTFBO-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.03
Rot. Bonds5

About [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine

[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine (PubChem CID 105338554) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
PubChem CID105338554
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H19ClN2O/c1-3-4-9(2)14(17-16)13-8-10-7-11(15)5-6-12(10)18-13/h5-9,14,17H,3-4,16H2,1-2H3
InChIKeyNZBYVVMCZXTFBO-UHFFFAOYSA-N
XLogP4.03
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.03
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-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
CID 105246260
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
CID 114729838
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine?
The IUPAC name of [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine (CID 105338554) is [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine?
The canonical SMILES for [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine is CCCC(C)C(NN)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine?
The InChIKey is NZBYVVMCZXTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-4-9(2)14(17-16)13-8-10-7-11(15)5-6-12(10)18-13/h5-9,14,17H,3-4,16H2,1-2H3.
What are the key properties of [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine?
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine has a molecular weight of 266.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine is sourced from PubChem (CID 105338554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).