[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine

C13H21FN2 — CID 106884293

IUPAC[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine
SMILESCCC(C)C(NN)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H21FN2/c1-5-9(3)13(16-15)12-10(4)6-8(2)7-11(12)14/h6-7,9,13,16H,5,15H2,1-4H3
InChIKeyPMXVPLFXIWFAOL-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.99
Rot. Bonds4

About [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine

[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine (PubChem CID 106884293) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine
PubChem CID106884293
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine
SMILESCCC(C)C(NN)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H21FN2/c1-5-9(3)13(16-15)12-10(4)6-8(2)7-11(12)14/h6-7,9,13,16H,5,15H2,1-4H3
InChIKeyPMXVPLFXIWFAOL-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-4,6-dimethylphenyl)-2-phenylbutyl]hydrazine
CID 106884498
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 106881987
[2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 106884445
1-(2,6-difluoro-4-methylphenyl)ethylhydrazine
CID 130856006
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
[(2-ethoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884405
3-(2-fluoro-4,6-dimethylphenyl)-2-methyl-N-propylbutan-1-amine
CID 106882869
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine?
The IUPAC name of [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine (CID 106884293) is [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine?
The canonical SMILES for [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine is CCC(C)C(NN)c1c(C)cc(C)cc1F.
What is the InChIKey of [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine?
The InChIKey is PMXVPLFXIWFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-9(3)13(16-15)12-10(4)6-8(2)7-11(12)14/h6-7,9,13,16H,5,15H2,1-4H3.
What are the key properties of [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine?
[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine has a molecular weight of 224.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine is sourced from PubChem (CID 106884293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).