3-[(4-methoxyphenyl)methoxy]-1-methylazetidine

C12H17NO2 — CID 20517347

IUPAC3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
SMILESCOc1ccc(COC2CN(C)C2)cc1
InChIInChI=1S/C12H17NO2/c1-13-7-12(8-13)15-9-10-3-5-11(14-2)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyDLGFAGWXPUHGGA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds4

About 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine

3-[(4-methoxyphenyl)methoxy]-1-methylazetidine (PubChem CID 20517347) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
PubChem CID20517347
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
SMILESCOc1ccc(COC2CN(C)C2)cc1
InChIInChI=1S/C12H17NO2/c1-13-7-12(8-13)15-9-10-3-5-11(14-2)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyDLGFAGWXPUHGGA-UHFFFAOYSA-N
XLogP1.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine 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-[(4-methoxyphenyl)methoxy]-1-methylazetidine?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine (CID 20517347) is 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine is COc1ccc(COC2CN(C)C2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine?
The InChIKey is DLGFAGWXPUHGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-7-12(8-13)15-9-10-3-5-11(14-2)6-4-10/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine?
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine has a molecular weight of 207.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-1-methylazetidine is sourced from PubChem (CID 20517347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).