8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

C23H29NO — CID 6492156

IUPAC8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCCOc1ccccc1CN1C2CCC1CC(c1ccc(C)cc1)C2
InChIInChI=1S/C23H29NO/c1-3-25-23-7-5-4-6-19(23)16-24-21-12-13-22(24)15-20(14-21)18-10-8-17(2)9-11-18/h4-11,20-22H,3,12-16H2,1-2H3
InChIKeyWQOSKDXGMMHOKK-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.30
Rot. Bonds5

About 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 6492156) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID6492156
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCCOc1ccccc1CN1C2CCC1CC(c1ccc(C)cc1)C2
InChIInChI=1S/C23H29NO/c1-3-25-23-7-5-4-6-19(23)16-24-21-12-13-22(24)15-20(14-21)18-10-8-17(2)9-11-18/h4-11,20-22H,3,12-16H2,1-2H3
InChIKeyWQOSKDXGMMHOKK-UHFFFAOYSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane (CID 6492156) is 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane is CCOc1ccccc1CN1C2CCC1CC(c1ccc(C)cc1)C2.
What is the InChIKey of 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is WQOSKDXGMMHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-25-23-7-5-4-6-19(23)16-24-21-12-13-22(24)15-20(14-21)18-10-8-17(2)9-11-18/h4-11,20-22H,3,12-16H2,1-2H3.
What are the key properties of 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 335.49 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethoxyphenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 6492156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).