3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane

C16H23NO — CID 114199669

IUPAC3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1cc(C)cc(COC2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H23NO/c1-11-5-12(2)7-13(6-11)10-18-16-8-14-3-4-15(9-16)17-14/h5-7,14-17H,3-4,8-10H2,1-2H3
InChIKeyJIHSFZLQRVSOGA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.10
Rot. Bonds3

About 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane

3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 114199669) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
PubChem CID114199669
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1cc(C)cc(COC2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H23NO/c1-11-5-12(2)7-13(6-11)10-18-16-8-14-3-4-15(9-16)17-14/h5-7,14-17H,3-4,8-10H2,1-2H3
InChIKeyJIHSFZLQRVSOGA-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane (CID 114199669) is 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane is Cc1cc(C)cc(COC2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is JIHSFZLQRVSOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-5-12(2)7-13(6-11)10-18-16-8-14-3-4-15(9-16)17-14/h5-7,14-17H,3-4,8-10H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane?
3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 245.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114199669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).