4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane

C20H23NO2 — CID 70068630

IUPAC4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane
SMILESc1ccc(Oc2ccc(OCCC34CCN(CC3)C4)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-2-4-18(5-3-1)23-19-8-6-17(7-9-19)22-15-12-20-10-13-21(16-20)14-11-20/h1-9H,10-16H2
InChIKeyICQJZHHSBGLYCL-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.34
Rot. Bonds6

About 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane

4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane (PubChem CID 70068630) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane
PubChem CID70068630
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane
SMILESc1ccc(Oc2ccc(OCCC34CCN(CC3)C4)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-2-4-18(5-3-1)23-19-8-6-17(7-9-19)22-15-12-20-10-13-21(16-20)14-11-20/h1-9H,10-16H2
InChIKeyICQJZHHSBGLYCL-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
CID 13386761
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
CID 65008158
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane (CID 70068630) is 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane is c1ccc(Oc2ccc(OCCC34CCN(CC3)C4)cc2)cc1.
What is the InChIKey of 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane?
The InChIKey is ICQJZHHSBGLYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-4-18(5-3-1)23-19-8-6-17(7-9-19)22-15-12-20-10-13-21(16-20)14-11-20/h1-9H,10-16H2.
What are the key properties of 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane?
4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane has a molecular weight of 309.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 70068630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).