2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane

C14H19NO — CID 115030238

IUPAC2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(C2CCC3CCC2N3)cc1
InChIInChI=1S/C14H19NO/c1-16-12-6-2-10(3-7-12)13-8-4-11-5-9-14(13)15-11/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3
InChIKeyRZEYHRDZPGJPFO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane

2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 115030238) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID115030238
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(C2CCC3CCC2N3)cc1
InChIInChI=1S/C14H19NO/c1-16-12-6-2-10(3-7-12)13-8-4-11-5-9-14(13)15-11/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3
InChIKeyRZEYHRDZPGJPFO-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane (CID 115030238) is 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane is COc1ccc(C2CCC3CCC2N3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is RZEYHRDZPGJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-6-2-10(3-7-12)13-8-4-11-5-9-14(13)15-11/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane?
2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 217.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 115030238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).