[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine

C16H24FN3 — CID 105265899

IUPAC[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H24FN3/c1-10-5-11(7-13(17)6-10)16(19-18)12-8-14-3-4-15(9-12)20(14)2/h5-7,12,14-16,19H,3-4,8-9,18H2,1-2H3
InChIKeyPQGYSXZKHSDSJN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.51
Rot. Bonds3

About [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine

[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine (PubChem CID 105265899) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
PubChem CID105265899
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H24FN3/c1-10-5-11(7-13(17)6-10)16(19-18)12-8-14-3-4-15(9-12)20(14)2/h5-7,12,14-16,19H,3-4,8-9,18H2,1-2H3
InChIKeyPQGYSXZKHSDSJN-UHFFFAOYSA-N
XLogP2.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine (CID 105265899) is [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine is Cc1cc(F)cc(C(NN)C2CC3CCC(C2)N3C)c1.
What is the InChIKey of [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
The InChIKey is PQGYSXZKHSDSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-10-5-11(7-13(17)6-10)16(19-18)12-8-14-3-4-15(9-12)20(14)2/h5-7,12,14-16,19H,3-4,8-9,18H2,1-2H3.
What are the key properties of [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine has a molecular weight of 277.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105265899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).