[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine

C13H21FN2 — CID 105325387

IUPAC[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
SMILESCCC(C)(C)C(NN)c1cc(C)cc(F)c1
InChIInChI=1S/C13H21FN2/c1-5-13(3,4)12(16-15)10-6-9(2)7-11(14)8-10/h6-8,12,16H,5,15H2,1-4H3
InChIKeyYMUHHWHLZSZNKM-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.07
Rot. Bonds4

About [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine

[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine (PubChem CID 105325387) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
PubChem CID105325387
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
SMILESCCC(C)(C)C(NN)c1cc(C)cc(F)c1
InChIInChI=1S/C13H21FN2/c1-5-13(3,4)12(16-15)10-6-9(2)7-11(14)8-10/h6-8,12,16H,5,15H2,1-4H3
InChIKeyYMUHHWHLZSZNKM-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-(3-fluoro-5-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241230
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275488
[1-(3,5-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275534
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
[2,2-dimethyl-1-(5-methylthiophen-3-yl)butyl]hydrazine
CID 105313380
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine?
The IUPAC name of [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine (CID 105325387) is [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine.
What is the SMILES notation for [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine?
The canonical SMILES for [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine is CCC(C)(C)C(NN)c1cc(C)cc(F)c1.
What is the InChIKey of [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine?
The InChIKey is YMUHHWHLZSZNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-13(3,4)12(16-15)10-6-9(2)7-11(14)8-10/h6-8,12,16H,5,15H2,1-4H3.
What are the key properties of [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine?
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine has a molecular weight of 224.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine is sourced from PubChem (CID 105325387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).