[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine

C16H25ClFN3 — CID 105397880

IUPAC[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
SMILESCC(C)(C(NN)c1cc(F)ccc1Cl)N1CCCCCC1
InChIInChI=1S/C16H25ClFN3/c1-16(2,21-9-5-3-4-6-10-21)15(20-19)13-11-12(18)7-8-14(13)17/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyJJULYICCIBXBGI-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.64
Rot. Bonds4

About [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine

[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine (PubChem CID 105397880) has the molecular formula C16H25ClFN3 and a molecular weight of 313.85 g/mol. Its IUPAC name is [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
PubChem CID105397880
Molecular FormulaC16H25ClFN3
Molecular Weight313.85 g/mol
Exact Mass313.17
IUPAC Name[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
SMILESCC(C)(C(NN)c1cc(F)ccc1Cl)N1CCCCCC1
InChIInChI=1S/C16H25ClFN3/c1-16(2,21-9-5-3-4-6-10-21)15(20-19)13-11-12(18)7-8-14(13)17/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyJJULYICCIBXBGI-UHFFFAOYSA-N
XLogP3.64
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.64
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

2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
[1-(2-chloro-5-fluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 105397762
[1-(3-chloro-4-methylphenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 107562387
5-chloro-3-(1-hydrazinyl-2-methyl-2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 105239648
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241349
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
[1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239829
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105377853
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239692

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine (CID 105397880) is [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine is CC(C)(C(NN)c1cc(F)ccc1Cl)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine?
The InChIKey is JJULYICCIBXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN3/c1-16(2,21-9-5-3-4-6-10-21)15(20-19)13-11-12(18)7-8-14(13)17/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3.
What are the key properties of [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine?
[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine has a molecular weight of 313.85 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine is sourced from PubChem (CID 105397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).