N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C19H22N2O — CID 11254890

IUPACN-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(Oc2ccc(NC3CN4CCC3CC4)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-17(5-3-1)22-18-8-6-16(7-9-18)20-19-14-21-12-10-15(19)11-13-21/h1-9,15,19-20H,10-14H2
InChIKeyWRSRGMDNAJJCJA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.98
Rot. Bonds4

About N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 11254890) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID11254890
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(Oc2ccc(NC3CN4CCC3CC4)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-17(5-3-1)22-18-8-6-16(7-9-18)20-19-14-21-12-10-15(19)11-13-21/h1-9,15,19-20H,10-14H2
InChIKeyWRSRGMDNAJJCJA-UHFFFAOYSA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 11254890) is N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine is c1ccc(Oc2ccc(NC3CN4CCC3CC4)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WRSRGMDNAJJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-4-17(5-3-1)22-18-8-6-16(7-9-18)20-19-14-21-12-10-15(19)11-13-21/h1-9,15,19-20H,10-14H2.
What are the key properties of N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 294.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 11254890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).