[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine

C13H21ClN2O — CID 105207718

IUPAC[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(CCC(C)C)NN
InChIInChI=1S/C13H21ClN2O/c1-9(2)4-6-12(16-15)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3
InChIKeyGLLDIPWQMGHKJS-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.29
Rot. Bonds6

About [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine

[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine (PubChem CID 105207718) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
PubChem CID105207718
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(CCC(C)C)NN
InChIInChI=1S/C13H21ClN2O/c1-9(2)4-6-12(16-15)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3
InChIKeyGLLDIPWQMGHKJS-UHFFFAOYSA-N
XLogP3.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.29
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-(2,5-dichlorophenyl)-4-methylpentyl]hydrazine
CID 105207581
[1-(5-chloro-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105200255
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)ethyl]hydrazine
CID 105195086
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
CID 105224018
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethyl]hydrazine
CID 105300805
[1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209656
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
CID 105140965

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine (CID 105207718) is [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine is COc1ccc(Cl)cc1C(CCC(C)C)NN.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine?
The InChIKey is GLLDIPWQMGHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(2)4-6-12(16-15)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine?
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine has a molecular weight of 256.78 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine is sourced from PubChem (CID 105207718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).