4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane

C12H15NO — CID 115017877

IUPAC4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
SMILESCOc1ccccc1C12CNC(C1)C2
InChIInChI=1S/C12H15NO/c1-14-11-5-3-2-4-10(11)12-6-9(7-12)13-8-12/h2-5,9,13H,6-8H2,1H3
InChIKeyUOHJETVMQMOPEQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane

4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane (PubChem CID 115017877) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
PubChem CID115017877
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
SMILESCOc1ccccc1C12CNC(C1)C2
InChIInChI=1S/C12H15NO/c1-14-11-5-3-2-4-10(11)12-6-9(7-12)13-8-12/h2-5,9,13H,6-8H2,1H3
InChIKeyUOHJETVMQMOPEQ-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane (CID 115017877) is 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane is COc1ccccc1C12CNC(C1)C2.
What is the InChIKey of 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is UOHJETVMQMOPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-14-11-5-3-2-4-10(11)12-6-9(7-12)13-8-12/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane?
4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 189.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 115017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).