4-phenyl-2-azabicyclo[2.1.1]hexane

C11H13N — CID 105431272

IUPAC4-phenyl-2-azabicyclo[2.1.1]hexane
SMILESc1ccc(C23CNC(C2)C3)cc1
InChIInChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(7-11)12-8-11/h1-5,10,12H,6-8H2
InChIKeyIEWSXDOEZYRZQD-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.69
Rot. Bonds1

About 4-phenyl-2-azabicyclo[2.1.1]hexane

4-phenyl-2-azabicyclo[2.1.1]hexane (PubChem CID 105431272) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-phenyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-phenyl-2-azabicyclo[2.1.1]hexane
PubChem CID105431272
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4-phenyl-2-azabicyclo[2.1.1]hexane
SMILESc1ccc(C23CNC(C2)C3)cc1
InChIInChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(7-11)12-8-11/h1-5,10,12H,6-8H2
InChIKeyIEWSXDOEZYRZQD-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-phenyl-2-azabicyclo[2.1.1]hexane (CID 105431272) is 4-phenyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-phenyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-phenyl-2-azabicyclo[2.1.1]hexane is c1ccc(C23CNC(C2)C3)cc1.
What is the InChIKey of 4-phenyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is IEWSXDOEZYRZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(7-11)12-8-11/h1-5,10,12H,6-8H2.
What are the key properties of 4-phenyl-2-azabicyclo[2.1.1]hexane?
4-phenyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 159.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 105431272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).