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

C13H20F2N2O — CID 107516740

IUPAC[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine
SMILESCOCC(C)CC(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2O/c1-8(7-18-3)6-11(17-16)10-5-4-9(2)12(14)13(10)15/h4-5,8,11,17H,6-7,16H2,1-3H3
InChIKeyOXEXOYBGMMGKMW-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.45
Rot. Bonds6

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

[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine (PubChem CID 107516740) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine
PubChem CID107516740
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine
SMILESCOCC(C)CC(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2O/c1-8(7-18-3)6-11(17-16)10-5-4-9(2)12(14)13(10)15/h4-5,8,11,17H,6-7,16H2,1-3H3
InChIKeyOXEXOYBGMMGKMW-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.45
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-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine
CID 107516632
[1-(2,5-dimethylphenyl)-4-methoxy-3-methylbutyl]hydrazine
CID 105292625
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
CID 107513225
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
[1-(2,3-difluoro-4-methylphenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 107516737
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine
CID 107514261
[1-(2-fluoro-4-methylphenyl)-2-methoxyethyl]hydrazine
CID 105321602

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine (CID 107516740) is [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine is COCC(C)CC(NN)c1ccc(C)c(F)c1F.
What is the InChIKey of [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine?
The InChIKey is OXEXOYBGMMGKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-8(7-18-3)6-11(17-16)10-5-4-9(2)12(14)13(10)15/h4-5,8,11,17H,6-7,16H2,1-3H3.
What are the key properties of [1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine?
[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine has a molecular weight of 258.31 g/mol, XLogP of 2.45, 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)-4-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 107516740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).