3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane

C20H25NO2 — CID 16678459

IUPAC3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane
SMILESCC(C)Oc1ccc2cc(OC3CC4CCC(C3)N4)ccc2c1
InChIInChI=1S/C20H25NO2/c1-13(2)22-18-7-3-15-10-19(8-4-14(15)9-18)23-20-11-16-5-6-17(12-20)21-16/h3-4,7-10,13,16-17,20-21H,5-6,11-12H2,1-2H3
InChIKeyHLRIORRRZFOJLU-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.29
Rot. Bonds4

About 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane

3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane (PubChem CID 16678459) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane
PubChem CID16678459
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane
SMILESCC(C)Oc1ccc2cc(OC3CC4CCC(C3)N4)ccc2c1
InChIInChI=1S/C20H25NO2/c1-13(2)22-18-7-3-15-10-19(8-4-14(15)9-18)23-20-11-16-5-6-17(12-20)21-16/h3-4,7-10,13,16-17,20-21H,5-6,11-12H2,1-2H3
InChIKeyHLRIORRRZFOJLU-UHFFFAOYSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane (CID 16678459) is 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane is CC(C)Oc1ccc2cc(OC3CC4CCC(C3)N4)ccc2c1.
What is the InChIKey of 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The InChIKey is HLRIORRRZFOJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13(2)22-18-7-3-15-10-19(8-4-14(15)9-18)23-20-11-16-5-6-17(12-20)21-16/h3-4,7-10,13,16-17,20-21H,5-6,11-12H2,1-2H3.
What are the key properties of 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane?
3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane has a molecular weight of 311.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 16678459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).