[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine

C13H21FN2O — CID 105274791

IUPAC[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine
SMILESCCOC(C)(CC)C(NN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-4-13(3,17-5-2)12(16-15)10-6-8-11(14)9-7-10/h6-9,12,16H,4-5,15H2,1-3H3
InChIKeyPSMBXBFVUJIIKD-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.54
Rot. Bonds6

About [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine

[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine (PubChem CID 105274791) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine
PubChem CID105274791
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine
SMILESCCOC(C)(CC)C(NN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-4-13(3,17-5-2)12(16-15)10-6-8-11(14)9-7-10/h6-9,12,16H,4-5,15H2,1-3H3
InChIKeyPSMBXBFVUJIIKD-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.54
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-(3,4-difluorophenyl)-2-ethoxy-2-ethylbutyl]hydrazine
CID 105275083
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine
CID 105273984
[2-ethoxy-2-ethyl-1-(4-propoxyphenyl)butyl]hydrazine
CID 105275200
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
[2-ethoxy-1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105273981
[2-ethoxy-2-methyl-1-(4-propylphenyl)propyl]hydrazine
CID 105273967
[2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methylbutyl]hydrazine
CID 105274810
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine?
The IUPAC name of [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine (CID 105274791) is [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine.
What is the SMILES notation for [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine?
The canonical SMILES for [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine is CCOC(C)(CC)C(NN)c1ccc(F)cc1.
What is the InChIKey of [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine?
The InChIKey is PSMBXBFVUJIIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-13(3,17-5-2)12(16-15)10-6-8-11(14)9-7-10/h6-9,12,16H,4-5,15H2,1-3H3.
What are the key properties of [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine?
[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine has a molecular weight of 240.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine is sourced from PubChem (CID 105274791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).