3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine

C13H19NO2 — CID 82286623

IUPAC3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
SMILESCOc1cc(CC2CNC2)c(OC)cc1C
InChIInChI=1S/C13H19NO2/c1-9-4-13(16-3)11(6-12(9)15-2)5-10-7-14-8-10/h4,6,10,14H,5,7-8H2,1-3H3
InChIKeyLXZRBIUXMFSKAN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds4

About 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine

3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine (PubChem CID 82286623) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
PubChem CID82286623
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
SMILESCOc1cc(CC2CNC2)c(OC)cc1C
InChIInChI=1S/C13H19NO2/c1-9-4-13(16-3)11(6-12(9)15-2)5-10-7-14-8-10/h4,6,10,14H,5,7-8H2,1-3H3
InChIKeyLXZRBIUXMFSKAN-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
CID 116926249
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine?
The IUPAC name of 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine (CID 82286623) is 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine is COc1cc(CC2CNC2)c(OC)cc1C.
What is the InChIKey of 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine?
The InChIKey is LXZRBIUXMFSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-4-13(16-3)11(6-12(9)15-2)5-10-7-14-8-10/h4,6,10,14H,5,7-8H2,1-3H3.
What are the key properties of 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine?
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine has a molecular weight of 221.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine is sourced from PubChem (CID 82286623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).