[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine

C15H25FN2O — CID 105273741

IUPAC[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
SMILESCCOC(C(Cc1ccccc1F)NN)C(C)(C)C
InChIInChI=1S/C15H25FN2O/c1-5-19-14(15(2,3)4)13(18-17)10-11-8-6-7-9-12(11)16/h6-9,13-14,18H,5,10,17H2,1-4H3
InChIKeyMCEMWAYAXFZQLE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.65
Rot. Bonds6

About [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine

[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine (PubChem CID 105273741) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
PubChem CID105273741
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
SMILESCCOC(C(Cc1ccccc1F)NN)C(C)(C)C
InChIInChI=1S/C15H25FN2O/c1-5-19-14(15(2,3)4)13(18-17)10-11-8-6-7-9-12(11)16/h6-9,13-14,18H,5,10,17H2,1-4H3
InChIKeyMCEMWAYAXFZQLE-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.65
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-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 107312791
[1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273557
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725632
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
[1-(2-fluoro-3-methoxyphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273616
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273802
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
[3-ethoxy-4,4-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105273836

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine?
The IUPAC name of [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine (CID 105273741) is [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine.
What is the SMILES notation for [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine?
The canonical SMILES for [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine is CCOC(C(Cc1ccccc1F)NN)C(C)(C)C.
What is the InChIKey of [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine?
The InChIKey is MCEMWAYAXFZQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-19-14(15(2,3)4)13(18-17)10-11-8-6-7-9-12(11)16/h6-9,13-14,18H,5,10,17H2,1-4H3.
What are the key properties of [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine?
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine has a molecular weight of 268.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105273741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).