[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine

C14H22F2N2O — CID 107516521

IUPAC[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
SMILESCCOC(C(C)C)C(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H22F2N2O/c1-5-19-14(8(2)3)13(18-17)10-7-6-9(4)11(15)12(10)16/h6-8,13-14,18H,5,17H2,1-4H3
InChIKeyUIJDIGYVKDLWMZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.84
Rot. Bonds6

About [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine

[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine (PubChem CID 107516521) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
PubChem CID107516521
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
SMILESCCOC(C(C)C)C(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H22F2N2O/c1-5-19-14(8(2)3)13(18-17)10-7-6-9(4)11(15)12(10)16/h6-8,13-14,18H,5,17H2,1-4H3
InChIKeyUIJDIGYVKDLWMZ-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.84
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

[2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-3-methylbutyl]hydrazine
CID 105272393
3-(2-ethoxy-1-hydrazinyl-3-methylbutyl)-5-methylpyridin-2-amine
CID 105272591
(2-ethoxy-3-methyl-1-thiophen-2-ylbutyl)hydrazine
CID 105272371
[2-ethoxy-1-(furan-2-yl)-3-methylbutyl]hydrazine
CID 105272295
[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710430
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine
CID 107516632
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine (CID 107516521) is [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine is CCOC(C(C)C)C(NN)c1ccc(C)c(F)c1F.
What is the InChIKey of [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine?
The InChIKey is UIJDIGYVKDLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-5-19-14(8(2)3)13(18-17)10-7-6-9(4)11(15)12(10)16/h6-8,13-14,18H,5,17H2,1-4H3.
What are the key properties of [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine?
[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine has a molecular weight of 272.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 107516521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).