[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine

C16H23ClFN3 — CID 102623435

IUPAC[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
SMILESCN1C2CCC1CC(C(Cc1cc(F)ccc1Cl)NN)C2
InChIInChI=1S/C16H23ClFN3/c1-21-13-3-4-14(21)8-11(7-13)16(20-19)9-10-6-12(18)2-5-15(10)17/h2,5-6,11,13-14,16,20H,3-4,7-9,19H2,1H3
InChIKeyMZNRZQRWORJEET-UHFFFAOYSA-N
MW311.83 g/mol
LogP2.73
Rot. Bonds4

About [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine

[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine (PubChem CID 102623435) has the molecular formula C16H23ClFN3 and a molecular weight of 311.83 g/mol. Its IUPAC name is [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
PubChem CID102623435
Molecular FormulaC16H23ClFN3
Molecular Weight311.83 g/mol
Exact Mass311.16
IUPAC Name[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
SMILESCN1C2CCC1CC(C(Cc1cc(F)ccc1Cl)NN)C2
InChIInChI=1S/C16H23ClFN3/c1-21-13-3-4-14(21)8-11(7-13)16(20-19)9-10-6-12(18)2-5-15(10)17/h2,5-6,11,13-14,16,20H,3-4,7-9,19H2,1H3
InChIKeyMZNRZQRWORJEET-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 52.73
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'}

Analyze [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine with MolForge

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Related Compounds

[2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265865
[2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265894
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
[2-(2-chloro-5-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 102623373
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049066
[(2,5-dichlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265806
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105265876
4-[2-hydrazinyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pyridin-2-amine
CID 105265791
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine (CID 102623435) is [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine is CN1C2CCC1CC(C(Cc1cc(F)ccc1Cl)NN)C2.
What is the InChIKey of [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine?
The InChIKey is MZNRZQRWORJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3/c1-21-13-3-4-14(21)8-11(7-13)16(20-19)9-10-6-12(18)2-5-15(10)17/h2,5-6,11,13-14,16,20H,3-4,7-9,19H2,1H3.
What are the key properties of [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine?
[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine has a molecular weight of 311.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 102623435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).