3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane

C23H30N2O2 — CID 171744560

IUPAC3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane
SMILESCCOC1CC2CCC(c3ccc(C)nc3)(C1)N2Cc1ccc(OC)cc1
InChIInChI=1S/C23H30N2O2/c1-4-27-22-13-20-11-12-23(14-22,19-8-5-17(2)24-15-19)25(20)16-18-6-9-21(26-3)10-7-18/h5-10,15,20,22H,4,11-14,16H2,1-3H3
InChIKeyCQTFEYYGZXJQGT-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.46
Rot. Bonds6

About 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane

3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane (PubChem CID 171744560) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane
PubChem CID171744560
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane
SMILESCCOC1CC2CCC(c3ccc(C)nc3)(C1)N2Cc1ccc(OC)cc1
InChIInChI=1S/C23H30N2O2/c1-4-27-22-13-20-11-12-23(14-22,19-8-5-17(2)24-15-19)25(20)16-18-6-9-21(26-3)10-7-18/h5-10,15,20,22H,4,11-14,16H2,1-3H3
InChIKeyCQTFEYYGZXJQGT-UHFFFAOYSA-N
XLogP4.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane (CID 171744560) is 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane is CCOC1CC2CCC(c3ccc(C)nc3)(C1)N2Cc1ccc(OC)cc1.
What is the InChIKey of 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is CQTFEYYGZXJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-27-22-13-20-11-12-23(14-22,19-8-5-17(2)24-15-19)25(20)16-18-6-9-21(26-3)10-7-18/h5-10,15,20,22H,4,11-14,16H2,1-3H3.
What are the key properties of 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane?
3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 366.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-[(4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 171744560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).