[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine

C16H20ClN3 — CID 106868466

IUPAC[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
SMILESCc1ccc(CC(CCc2ccncc2)NN)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-12-2-4-14(16(17)10-12)11-15(20-18)5-3-13-6-8-19-9-7-13/h2,4,6-10,15,20H,3,5,11,18H2,1H3
InChIKeyZOQOZMBHUSPXOF-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.05
Rot. Bonds6

About [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine

[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine (PubChem CID 106868466) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
PubChem CID106868466
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
SMILESCc1ccc(CC(CCc2ccncc2)NN)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-12-2-4-14(16(17)10-12)11-15(20-18)5-3-13-6-8-19-9-7-13/h2,4,6-10,15,20H,3,5,11,18H2,1H3
InChIKeyZOQOZMBHUSPXOF-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.05
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-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 106871466
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105287766
[4-(2-methylphenyl)-1-pyridin-4-ylbutan-2-yl]hydrazine
CID 105317453
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
(4-phenyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105205766
[1-(2-chloro-4-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 106868502
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine (CID 106868466) is [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine is Cc1ccc(CC(CCc2ccncc2)NN)c(Cl)c1.
What is the InChIKey of [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine?
The InChIKey is ZOQOZMBHUSPXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-2-4-14(16(17)10-12)11-15(20-18)5-3-13-6-8-19-9-7-13/h2,4,6-10,15,20H,3,5,11,18H2,1H3.
What are the key properties of [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine?
[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine has a molecular weight of 289.81 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 106868466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).