1-(2-chloro-3-methylphenyl)hexylhydrazine

C13H21ClN2 — CID 105294703

IUPAC1-(2-chloro-3-methylphenyl)hexylhydrazine
SMILESCCCCCC(NN)c1cccc(C)c1Cl
InChIInChI=1S/C13H21ClN2/c1-3-4-5-9-12(16-15)11-8-6-7-10(2)13(11)14/h6-8,12,16H,3-5,9,15H2,1-2H3
InChIKeyMXZQQQYELIUKTQ-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.73
Rot. Bonds6

About 1-(2-chloro-3-methylphenyl)hexylhydrazine

1-(2-chloro-3-methylphenyl)hexylhydrazine (PubChem CID 105294703) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)hexylhydrazine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)hexylhydrazine
PubChem CID105294703
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-(2-chloro-3-methylphenyl)hexylhydrazine
SMILESCCCCCC(NN)c1cccc(C)c1Cl
InChIInChI=1S/C13H21ClN2/c1-3-4-5-9-12(16-15)11-8-6-7-10(2)13(11)14/h6-8,12,16H,3-5,9,15H2,1-2H3
InChIKeyMXZQQQYELIUKTQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
[1-(2-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292752
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
[1-(2-chloro-3-methylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285247
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
2-(1-hydrazinylheptyl)phenol
CID 155127911
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
[1-(2-chloro-3-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310135

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)hexylhydrazine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)hexylhydrazine (CID 105294703) is 1-(2-chloro-3-methylphenyl)hexylhydrazine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)hexylhydrazine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)hexylhydrazine is CCCCCC(NN)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)hexylhydrazine?
The InChIKey is MXZQQQYELIUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-4-5-9-12(16-15)11-8-6-7-10(2)13(11)14/h6-8,12,16H,3-5,9,15H2,1-2H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)hexylhydrazine?
1-(2-chloro-3-methylphenyl)hexylhydrazine has a molecular weight of 240.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)hexylhydrazine is sourced from PubChem (CID 105294703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).