[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine

C16H21N3O — CID 79259305

IUPAC[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCCC(C)c1ccccc1OCc1cc(NN)ccn1
InChIInChI=1S/C16H21N3O/c1-3-12(2)15-6-4-5-7-16(15)20-11-14-10-13(19-17)8-9-18-14/h4-10,12H,3,11,17H2,1-2H3,(H,18,19)
InChIKeyVXRCURWHUOUKOK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.46
Rot. Bonds6

About [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine

[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 79259305) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID79259305
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCCC(C)c1ccccc1OCc1cc(NN)ccn1
InChIInChI=1S/C16H21N3O/c1-3-12(2)15-6-4-5-7-16(15)20-11-14-10-13(19-17)8-9-18-14/h4-10,12H,3,11,17H2,1-2H3,(H,18,19)
InChIKeyVXRCURWHUOUKOK-UHFFFAOYSA-N
XLogP3.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.46
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

[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389
6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239022
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
[2-[(2,5-difluorophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260041
[2-[(1-bromonaphthalen-2-yl)oxymethyl]-4-pyridinyl]hydrazine
CID 79262180
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
[2-(propoxymethyl)-4-pyridinyl]hydrazine
CID 79259211
[2-[(5-chloro-2-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260404
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
[2-(2-methylbutan-2-yloxymethyl)-4-pyridinyl]hydrazine
CID 79260127

Frequently Asked Questions

What is the IUPAC name of [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine (CID 79259305) is [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine is CCC(C)c1ccccc1OCc1cc(NN)ccn1.
What is the InChIKey of [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is VXRCURWHUOUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12(2)15-6-4-5-7-16(15)20-11-14-10-13(19-17)8-9-18-14/h4-10,12H,3,11,17H2,1-2H3,(H,18,19).
What are the key properties of [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 271.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).