[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine

C16H21N3O — CID 79230468

IUPAC[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCC(C)(C)c1cccc(OCc2cccc(NN)n2)c1
InChIInChI=1S/C16H21N3O/c1-16(2,3)12-6-4-8-14(10-12)20-11-13-7-5-9-15(18-13)19-17/h4-10H,11,17H2,1-3H3,(H,18,19)
InChIKeyMWUFROUUGWODEH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds4

About [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine

[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 79230468) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID79230468
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCC(C)(C)c1cccc(OCc2cccc(NN)n2)c1
InChIInChI=1S/C16H21N3O/c1-16(2,3)12-6-4-8-14(10-12)20-11-13-7-5-9-15(18-13)19-17/h4-10H,11,17H2,1-3H3,(H,18,19)
InChIKeyMWUFROUUGWODEH-UHFFFAOYSA-N
XLogP3.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
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-[(4-tert-butyl-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232587
3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
CID 79234453
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232634
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231253
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231511
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
[6-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103290222
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184

Frequently Asked Questions

What is the IUPAC name of [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 79230468) is [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine is CC(C)(C)c1cccc(OCc2cccc(NN)n2)c1.
What is the InChIKey of [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is MWUFROUUGWODEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)12-6-4-8-14(10-12)20-11-13-7-5-9-15(18-13)19-17/h4-10H,11,17H2,1-3H3,(H,18,19).
What are the key properties of [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 271.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79230468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).