3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine

C13H19NO3 — CID 107391518

IUPAC3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
SMILESCOc1cccc(OC)c1OCCC1CNC1
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-7-6-10-8-14-9-10/h3-5,10,14H,6-9H2,1-2H3
InChIKeyOVMONFJBXUVCCM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds6

About 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine

3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine (PubChem CID 107391518) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
PubChem CID107391518
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
SMILESCOc1cccc(OC)c1OCCC1CNC1
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-7-6-10-8-14-9-10/h3-5,10,14H,6-9H2,1-2H3
InChIKeyOVMONFJBXUVCCM-UHFFFAOYSA-N
XLogP1.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
CID 107391519
3-[2-(2-methyl-6-nitrophenoxy)ethyl]azetidine
CID 107391798
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine (CID 107391518) is 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine is COc1cccc(OC)c1OCCC1CNC1.
What is the InChIKey of 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine?
The InChIKey is OVMONFJBXUVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-7-6-10-8-14-9-10/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine?
3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine has a molecular weight of 237.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine is sourced from PubChem (CID 107391518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).