[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine

C17H20BrFN2 — CID 105194059

IUPAC[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
SMILESCC(C)c1ccc(C(Cc2ccc(F)cc2Br)NN)cc1
InChIInChI=1S/C17H20BrFN2/c1-11(2)12-3-5-13(6-4-12)17(21-20)9-14-7-8-15(19)10-16(14)18/h3-8,10-11,17,21H,9,20H2,1-2H3
InChIKeyAECLNNPCYCJJRE-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.46
Rot. Bonds5

About [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine

[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine (PubChem CID 105194059) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
PubChem CID105194059
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
SMILESCC(C)c1ccc(C(Cc2ccc(F)cc2Br)NN)cc1
InChIInChI=1S/C17H20BrFN2/c1-11(2)12-3-5-13(6-4-12)17(21-20)9-14-7-8-15(19)10-16(14)18/h3-8,10-11,17,21H,9,20H2,1-2H3
InChIKeyAECLNNPCYCJJRE-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.46
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-bromo-4-chlorophenyl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105260939
[2-(2,5-difluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194039
[2-(2-bromo-4-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204048
[2-(2-bromo-4-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105296699
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
[2-(2-bromo-4-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203629
[1-(3-bromo-2-chlorophenyl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105296712
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
[2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258571
[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269345
[2-(2-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207928

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine (CID 105194059) is [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine is CC(C)c1ccc(C(Cc2ccc(F)cc2Br)NN)cc1.
What is the InChIKey of [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
The InChIKey is AECLNNPCYCJJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-11(2)12-3-5-13(6-4-12)17(21-20)9-14-7-8-15(19)10-16(14)18/h3-8,10-11,17,21H,9,20H2,1-2H3.
What are the key properties of [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine has a molecular weight of 351.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105194059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).