2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine

C15H23NO2 — CID 123959418

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine
SMILESCOc1cc(C)c(C2(C)CC(C)N2C)cc1OC
InChIInChI=1S/C15H23NO2/c1-10-7-13(17-5)14(18-6)8-12(10)15(3)9-11(2)16(15)4/h7-8,11H,9H2,1-6H3
InChIKeyWDOXZVNQFCAVGC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.95
Rot. Bonds3

About 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine

2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine (PubChem CID 123959418) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine
PubChem CID123959418
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine
SMILESCOc1cc(C)c(C2(C)CC(C)N2C)cc1OC
InChIInChI=1S/C15H23NO2/c1-10-7-13(17-5)14(18-6)8-12(10)15(3)9-11(2)16(15)4/h7-8,11H,9H2,1-6H3
InChIKeyWDOXZVNQFCAVGC-UHFFFAOYSA-N
XLogP2.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine (CID 123959418) is 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine is COc1cc(C)c(C2(C)CC(C)N2C)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine?
The InChIKey is WDOXZVNQFCAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-13(17-5)14(18-6)8-12(10)15(3)9-11(2)16(15)4/h7-8,11H,9H2,1-6H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine?
2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine has a molecular weight of 249.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine is sourced from PubChem (CID 123959418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).