N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride

C14H20ClFN2 — CID 24747073

IUPACN-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
SMILESCl.Fc1ccc(CNC2CN3CCC2CC3)cc1
InChIInChI=1S/C14H19FN2.ClH/c15-13-3-1-11(2-4-13)9-16-14-10-17-7-5-12(14)6-8-17;/h1-4,12,14,16H,5-10H2;1H
InChIKeyFFPCKGCCPYXPHV-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.43
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride

N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride (PubChem CID 24747073) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
PubChem CID24747073
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
SMILESCl.Fc1ccc(CNC2CN3CCC2CC3)cc1
InChIInChI=1S/C14H19FN2.ClH/c15-13-3-1-11(2-4-13)9-16-14-10-17-7-5-12(14)6-8-17;/h1-4,12,14,16H,5-10H2;1H
InChIKeyFFPCKGCCPYXPHV-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride (CID 24747073) is N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride is Cl.Fc1ccc(CNC2CN3CCC2CC3)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
The InChIKey is FFPCKGCCPYXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2.ClH/c15-13-3-1-11(2-4-13)9-16-14-10-17-7-5-12(14)6-8-17;/h1-4,12,14,16H,5-10H2;1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride is sourced from PubChem (CID 24747073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).