[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine

C16H25BrFN3 — CID 105242208

IUPAC[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(CC)(C(NN)c1cc(Br)ccc1F)N1CCCC1
InChIInChI=1S/C16H25BrFN3/c1-3-16(4-2,21-9-5-6-10-21)15(20-19)13-11-12(17)7-8-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyOPLOUXIXVKUHPS-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.75
Rot. Bonds6

About [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine

[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 105242208) has the molecular formula C16H25BrFN3 and a molecular weight of 358.30 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID105242208
Molecular FormulaC16H25BrFN3
Molecular Weight358.30 g/mol
Exact Mass357.12
IUPAC Name[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(CC)(C(NN)c1cc(Br)ccc1F)N1CCCC1
InChIInChI=1S/C16H25BrFN3/c1-3-16(4-2,21-9-5-6-10-21)15(20-19)13-11-12(17)7-8-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyOPLOUXIXVKUHPS-UHFFFAOYSA-N
XLogP3.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.75
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-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241371
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
CID 105265536
[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241349
[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 103397603
[2-methyl-2-pyrrolidin-1-yl-1-(2,4,5-trimethylphenyl)butyl]hydrazine
CID 105241178
[1-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105280759
1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057362
1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
CID 105280681
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine (CID 105242208) is [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(CC)(C(NN)c1cc(Br)ccc1F)N1CCCC1.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is OPLOUXIXVKUHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN3/c1-3-16(4-2,21-9-5-6-10-21)15(20-19)13-11-12(17)7-8-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3.
What are the key properties of [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 358.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 105242208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).