4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol

C14H19NO — CID 84785577

IUPAC4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol
SMILESOc1ccc(CCN2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO/c16-14-5-2-11(3-6-14)7-8-15-10-12-1-4-13(15)9-12/h2-3,5-6,12-13,16H,1,4,7-10H2
InChIKeyJYRGEPIBPKNFCF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.42
Rot. Bonds3

About 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol

4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol (PubChem CID 84785577) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol
PubChem CID84785577
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol
SMILESOc1ccc(CCN2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO/c16-14-5-2-11(3-6-14)7-8-15-10-12-1-4-13(15)9-12/h2-3,5-6,12-13,16H,1,4,7-10H2
InChIKeyJYRGEPIBPKNFCF-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol (CID 84785577) is 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol is Oc1ccc(CCN2CC3CCC2C3)cc1.
What is the InChIKey of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol?
The InChIKey is JYRGEPIBPKNFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-5-2-11(3-6-14)7-8-15-10-12-1-4-13(15)9-12/h2-3,5-6,12-13,16H,1,4,7-10H2.
What are the key properties of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol?
4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol has a molecular weight of 217.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]phenol is sourced from PubChem (CID 84785577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).