[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine

C17H23N3O — CID 62244490

IUPAC[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1ccc(OCc2ccc(NN)nc2)c(C(C)(C)C)c1
InChIInChI=1S/C17H23N3O/c1-12-5-7-15(14(9-12)17(2,3)4)21-11-13-6-8-16(20-18)19-10-13/h5-10H,11,18H2,1-4H3,(H,19,20)
InChIKeyWWDAVGOMJNCNSW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.55
Rot. Bonds4

About [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine

[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 62244490) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID62244490
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1ccc(OCc2ccc(NN)nc2)c(C(C)(C)C)c1
InChIInChI=1S/C17H23N3O/c1-12-5-7-15(14(9-12)17(2,3)4)21-11-13-6-8-16(20-18)19-10-13/h5-10H,11,18H2,1-4H3,(H,19,20)
InChIKeyWWDAVGOMJNCNSW-UHFFFAOYSA-N
XLogP3.55
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[5-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 64855843
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
CID 62193136
5-[(2,4-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62193335
3-[(2-tert-butyl-4-methylphenoxy)methyl]-5-fluoroaniline
CID 115980160
1-[(3-bromo-4-fluorophenyl)methoxy]-2-tert-butyl-4-methylbenzene
CID 63456690
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
[5-[(4-methylphenyl)methoxy]-2-pyridinyl]hydrazine
CID 135394683
[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246224
[5-[(2-iodophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246023
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684

Frequently Asked Questions

What is the IUPAC name of [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 62244490) is [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine is Cc1ccc(OCc2ccc(NN)nc2)c(C(C)(C)C)c1.
What is the InChIKey of [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is WWDAVGOMJNCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-7-15(14(9-12)17(2,3)4)21-11-13-6-8-16(20-18)19-10-13/h5-10H,11,18H2,1-4H3,(H,19,20).
What are the key properties of [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 285.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62244490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).