3-(3,4-dimethoxyphenyl)azetidine

C11H15NO2 — CID 75355862

IUPAC3-(3,4-dimethoxyphenyl)azetidine
SMILESCOc1ccc(C2CNC2)cc1OC
InChIInChI=1S/C11H15NO2/c1-13-10-4-3-8(5-11(10)14-2)9-6-12-7-9/h3-5,9,12H,6-7H2,1-2H3
InChIKeyHGIIXEHAYXWIEL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.39
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)azetidine

3-(3,4-dimethoxyphenyl)azetidine (PubChem CID 75355862) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)azetidine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)azetidine
PubChem CID75355862
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(3,4-dimethoxyphenyl)azetidine
SMILESCOc1ccc(C2CNC2)cc1OC
InChIInChI=1S/C11H15NO2/c1-13-10-4-3-8(5-11(10)14-2)9-6-12-7-9/h3-5,9,12H,6-7H2,1-2H3
InChIKeyHGIIXEHAYXWIEL-UHFFFAOYSA-N
XLogP1.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
3-(4-methoxy-3-nitrophenyl)azetidine;hydrochloride
CID 131879443
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
3-(3,4-dimethylphenyl)azetidine
CID 82280235

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)azetidine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)azetidine (CID 75355862) is 3-(3,4-dimethoxyphenyl)azetidine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)azetidine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)azetidine is COc1ccc(C2CNC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)azetidine?
The InChIKey is HGIIXEHAYXWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-10-4-3-8(5-11(10)14-2)9-6-12-7-9/h3-5,9,12H,6-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)azetidine?
3-(3,4-dimethoxyphenyl)azetidine has a molecular weight of 193.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)azetidine is sourced from PubChem (CID 75355862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).