2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol

C12H15NO — CID 84771208

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
SMILESOc1ccccc1N1CC2CCC1C2
InChIInChI=1S/C12H15NO/c14-12-4-2-1-3-11(12)13-8-9-5-6-10(13)7-9/h1-4,9-10,14H,5-8H2
InChIKeyBLGNSWBEQLQGHQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.38
Rot. Bonds1

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol

2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol (PubChem CID 84771208) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
PubChem CID84771208
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
SMILESOc1ccccc1N1CC2CCC1C2
InChIInChI=1S/C12H15NO/c14-12-4-2-1-3-11(12)13-8-9-5-6-10(13)7-9/h1-4,9-10,14H,5-8H2
InChIKeyBLGNSWBEQLQGHQ-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol (CID 84771208) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol is Oc1ccccc1N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol?
The InChIKey is BLGNSWBEQLQGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-4-2-1-3-11(12)13-8-9-5-6-10(13)7-9/h1-4,9-10,14H,5-8H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol?
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol has a molecular weight of 189.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol is sourced from PubChem (CID 84771208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).