1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine

C12H15ClN2 — CID 105308015

IUPAC1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1cc(Cl)ccc1C
InChIInChI=1S/C12H15ClN2/c1-3-4-5-12(15-14)11-8-10(13)7-6-9(11)2/h1,6-8,12,15H,4-5,14H2,2H3
InChIKeyADXYHRISFIGCGW-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.57
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine

1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine (PubChem CID 105308015) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine
PubChem CID105308015
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1cc(Cl)ccc1C
InChIInChI=1S/C12H15ClN2/c1-3-4-5-12(15-14)11-8-10(13)7-6-9(11)2/h1,6-8,12,15H,4-5,14H2,2H3
InChIKeyADXYHRISFIGCGW-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methylphenyl)pent-4-yn-1-amine
CID 115859365
1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine
CID 105311435
[1-(5-chloro-2-methylphenyl)-3-methylpentyl]hydrazine
CID 105298675
1-(5-chloro-2-methylphenyl)-N-ethylbut-3-yn-1-amine
CID 114977880
1-(5-chloro-2-methylphenyl)-N-propylbut-3-yn-1-amine
CID 114977026
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
[1-(5-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317616
[2-(5-chloro-2-methoxyphenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105297654
[1-(5-chloro-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291913
[1-(5-chloro-2-methylphenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296511
[1-(2,5-dichlorophenyl)-4-methylpentyl]hydrazine
CID 105207581
[2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 102623551

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine (CID 105308015) is 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine is C#CCCC(NN)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine?
The InChIKey is ADXYHRISFIGCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-4-5-12(15-14)11-8-10(13)7-6-9(11)2/h1,6-8,12,15H,4-5,14H2,2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine?
1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine has a molecular weight of 222.72 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine is sourced from PubChem (CID 105308015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).