3-phenyl-2-azabicyclo[2.2.1]heptane

C12H15N — CID 84766510

IUPAC3-phenyl-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(C2NC3CCC2C3)cc1
InChIInChI=1S/C12H15N/c1-2-4-9(5-3-1)12-10-6-7-11(8-10)13-12/h1-5,10-13H,6-8H2
InChIKeyQGRJJXVRWOYCRU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.50
Rot. Bonds1

About 3-phenyl-2-azabicyclo[2.2.1]heptane

3-phenyl-2-azabicyclo[2.2.1]heptane (PubChem CID 84766510) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-phenyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-phenyl-2-azabicyclo[2.2.1]heptane
PubChem CID84766510
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-phenyl-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(C2NC3CCC2C3)cc1
InChIInChI=1S/C12H15N/c1-2-4-9(5-3-1)12-10-6-7-11(8-10)13-12/h1-5,10-13H,6-8H2
InChIKeyQGRJJXVRWOYCRU-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-phenyl-2-azabicyclo[2.2.1]heptane (CID 84766510) is 3-phenyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-phenyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-phenyl-2-azabicyclo[2.2.1]heptane is c1ccc(C2NC3CCC2C3)cc1.
What is the InChIKey of 3-phenyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is QGRJJXVRWOYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-9(5-3-1)12-10-6-7-11(8-10)13-12/h1-5,10-13H,6-8H2.
What are the key properties of 3-phenyl-2-azabicyclo[2.2.1]heptane?
3-phenyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 173.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 84766510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).