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

C13H21FN2O — CID 105330933

IUPAC[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
SMILESCCC(C)(C)C(NN)c1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-5-13(2,3)12(16-15)10-8-9(14)6-7-11(10)17-4/h6-8,12,16H,5,15H2,1-4H3
InChIKeyBPMGGXQJGLTHFE-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.77
Rot. Bonds5

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

[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine (PubChem CID 105330933) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
PubChem CID105330933
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
SMILESCCC(C)(C)C(NN)c1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-5-13(2,3)12(16-15)10-8-9(14)6-7-11(10)17-4/h6-8,12,16H,5,15H2,1-4H3
InChIKeyBPMGGXQJGLTHFE-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
[1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025453
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954012
N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 79660521
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
CID 116759493
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
[1-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105330779
[2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105195600
[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 107516698
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine?
The IUPAC name of [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine (CID 105330933) is [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine is CCC(C)(C)C(NN)c1cc(F)ccc1OC.
What is the InChIKey of [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine?
The InChIKey is BPMGGXQJGLTHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-5-13(2,3)12(16-15)10-8-9(14)6-7-11(10)17-4/h6-8,12,16H,5,15H2,1-4H3.
What are the key properties of [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine?
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine has a molecular weight of 240.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine is sourced from PubChem (CID 105330933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).