3-[2-(3,4-dimethylphenoxy)ethyl]azetidine

C13H19NO — CID 107391539

IUPAC3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
SMILESCc1ccc(OCCC2CNC2)cc1C
InChIInChI=1S/C13H19NO/c1-10-3-4-13(7-11(10)2)15-6-5-12-8-14-9-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyRQEFBNQNYQRCFH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds4

About 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine

3-[2-(3,4-dimethylphenoxy)ethyl]azetidine (PubChem CID 107391539) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
PubChem CID107391539
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
SMILESCc1ccc(OCCC2CNC2)cc1C
InChIInChI=1S/C13H19NO/c1-10-3-4-13(7-11(10)2)15-6-5-12-8-14-9-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyRQEFBNQNYQRCFH-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-iodophenoxy)ethyl]azetidine
CID 107391676
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-[3-(3,4-dimethylphenoxy)propyl]oxane
CID 165029250
2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine
CID 79572200
3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106636309
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine (CID 107391539) is 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine is Cc1ccc(OCCC2CNC2)cc1C.
What is the InChIKey of 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine?
The InChIKey is RQEFBNQNYQRCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-4-13(7-11(10)2)15-6-5-12-8-14-9-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine?
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine has a molecular weight of 205.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylphenoxy)ethyl]azetidine is sourced from PubChem (CID 107391539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).