[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine

C13H21FN2O — CID 107130939

IUPAC[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1ccc(C)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-9-5-6-10(7-11(9)14)12(16-15)8-13(2,3)17-4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyCJIXJFSKVUMIHZ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.45
Rot. Bonds5

About [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine

[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 107130939) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID107130939
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1ccc(C)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-9-5-6-10(7-11(9)14)12(16-15)8-13(2,3)17-4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyCJIXJFSKVUMIHZ-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
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-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
[1-(3,5-difluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025282
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026429
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
CID 103025278
[3-methoxy-3-methyl-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 103025433
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025276
[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 107130927
[1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026629
[1-(3-fluoro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107130751
[1-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105201563

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine (CID 107130939) is [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine is COC(C)(C)CC(NN)c1ccc(C)c(F)c1.
What is the InChIKey of [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is CJIXJFSKVUMIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9-5-6-10(7-11(9)14)12(16-15)8-13(2,3)17-4/h5-7,12,16H,8,15H2,1-4H3.
What are the key properties of [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 240.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 107130939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).