3-(4-methoxy-2,3-dimethylphenyl)azetidine

C12H17NO — CID 82281458

IUPAC3-(4-methoxy-2,3-dimethylphenyl)azetidine
SMILESCOc1ccc(C2CNC2)c(C)c1C
InChIInChI=1S/C12H17NO/c1-8-9(2)12(14-3)5-4-11(8)10-6-13-7-10/h4-5,10,13H,6-7H2,1-3H3
InChIKeyDGBDWFBYCJJRDL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.00
Rot. Bonds2

About 3-(4-methoxy-2,3-dimethylphenyl)azetidine

3-(4-methoxy-2,3-dimethylphenyl)azetidine (PubChem CID 82281458) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(4-methoxy-2,3-dimethylphenyl)azetidine.

Molecular Properties

Compound Name3-(4-methoxy-2,3-dimethylphenyl)azetidine
PubChem CID82281458
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(4-methoxy-2,3-dimethylphenyl)azetidine
SMILESCOc1ccc(C2CNC2)c(C)c1C
InChIInChI=1S/C12H17NO/c1-8-9(2)12(14-3)5-4-11(8)10-6-13-7-10/h4-5,10,13H,6-7H2,1-3H3
InChIKeyDGBDWFBYCJJRDL-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
4-(4-methoxy-2,3-dimethylphenyl)cyclohexan-1-ol
CID 116963253
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(azetidin-3-yl)-4-methoxy-2-methylbenzonitrile
CID 89422243
1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene
CID 59288382
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 59288378
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3-dimethylphenyl)azetidine?
The IUPAC name of 3-(4-methoxy-2,3-dimethylphenyl)azetidine (CID 82281458) is 3-(4-methoxy-2,3-dimethylphenyl)azetidine.
What is the SMILES notation for 3-(4-methoxy-2,3-dimethylphenyl)azetidine?
The canonical SMILES for 3-(4-methoxy-2,3-dimethylphenyl)azetidine is COc1ccc(C2CNC2)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3-dimethylphenyl)azetidine?
The InChIKey is DGBDWFBYCJJRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-9(2)12(14-3)5-4-11(8)10-6-13-7-10/h4-5,10,13H,6-7H2,1-3H3.
What are the key properties of 3-(4-methoxy-2,3-dimethylphenyl)azetidine?
3-(4-methoxy-2,3-dimethylphenyl)azetidine has a molecular weight of 191.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3-dimethylphenyl)azetidine is sourced from PubChem (CID 82281458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).