[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine

C17H22ClN3 — CID 105296557

IUPAC[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(CC(NN)c2ccncc2Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-17(2,3)13-6-4-12(5-7-13)10-16(21-19)14-8-9-20-11-15(14)18/h4-9,11,16,21H,10,19H2,1-3H3
InChIKeyHQBYZDPDQHRYSW-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.78
Rot. Bonds4

About [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine

[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine (PubChem CID 105296557) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine
PubChem CID105296557
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(CC(NN)c2ccncc2Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-17(2,3)13-6-4-12(5-7-13)10-16(21-19)14-8-9-20-11-15(14)18/h4-9,11,16,21H,10,19H2,1-3H3
InChIKeyHQBYZDPDQHRYSW-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.78
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-(3-chloro-4-pyridinyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413071
[1-(3-chloro-4-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331834
[2-(4-tert-butylphenyl)-1-pyrazin-2-ylethyl]hydrazine
CID 105203386
[2-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445951
[2-(4-methylphenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261934
[2-(3,4-dichlorophenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105210863
[1-(3-chloro-4-pyridinyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287759
[1-(3-chloro-4-pyridinyl)-3-cyclopropylpropyl]hydrazine
CID 105315159
[2-(4-tert-butylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253806
[2-(3-chloro-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 103044062
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
[1-(3-fluoro-4-pyridinyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211344

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine (CID 105296557) is [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine is CC(C)(C)c1ccc(CC(NN)c2ccncc2Cl)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine?
The InChIKey is HQBYZDPDQHRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-17(2,3)13-6-4-12(5-7-13)10-16(21-19)14-8-9-20-11-15(14)18/h4-9,11,16,21H,10,19H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine?
[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine has a molecular weight of 303.84 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105296557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).