[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine

C13H20BrFN2O — CID 105297513

IUPAC[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
SMILESCC(C)(C)OCC(Cc1ccc(Br)cc1F)NN
InChIInChI=1S/C13H20BrFN2O/c1-13(2,3)18-8-11(17-16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,17H,6,8,16H2,1-3H3
InChIKeyDBLYHTBJDPHTMS-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.78
Rot. Bonds5

About [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine

[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine (PubChem CID 105297513) has the molecular formula C13H20BrFN2O and a molecular weight of 319.22 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
PubChem CID105297513
Molecular FormulaC13H20BrFN2O
Molecular Weight319.22 g/mol
Exact Mass318.07
IUPAC Name[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
SMILESCC(C)(C)OCC(Cc1ccc(Br)cc1F)NN
InChIInChI=1S/C13H20BrFN2O/c1-13(2,3)18-8-11(17-16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,17H,6,8,16H2,1-3H3
InChIKeyDBLYHTBJDPHTMS-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.78
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-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 103053888
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081
[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225209
[1-(2-chloro-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 102623584
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250426
[1-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105285289
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
[1-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105289511
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
[2-(4-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105297391

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine (CID 105297513) is [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine is CC(C)(C)OCC(Cc1ccc(Br)cc1F)NN.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
The InChIKey is DBLYHTBJDPHTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O/c1-13(2,3)18-8-11(17-16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,17H,6,8,16H2,1-3H3.
What are the key properties of [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine has a molecular weight of 319.22 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine is sourced from PubChem (CID 105297513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).