3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine

C11H13Cl2NO — CID 83065905

IUPAC3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine
SMILESCC1(OCc2cc(Cl)ccc2Cl)CNC1
InChIInChI=1S/C11H13Cl2NO/c1-11(6-14-7-11)15-5-8-4-9(12)2-3-10(8)13/h2-4,14H,5-7H2,1H3
InChIKeyUOYCIPBAZVTNOK-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.87
Rot. Bonds3

About 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine

3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine (PubChem CID 83065905) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine
PubChem CID83065905
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine
SMILESCC1(OCc2cc(Cl)ccc2Cl)CNC1
InChIInChI=1S/C11H13Cl2NO/c1-11(6-14-7-11)15-5-8-4-9(12)2-3-10(8)13/h2-4,14H,5-7H2,1H3
InChIKeyUOYCIPBAZVTNOK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
CID 102616694
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
CID 107385905
(2,5-dichlorophenyl)methoxyazanium
CID 3797844
4-[(3-methylazetidin-3-yl)oxymethyl]phenol
CID 83065419
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 107917772
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102655772
1-[(2,5-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 65317746
3-[(2-chloro-4-fluorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655449
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine?
The IUPAC name of 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine (CID 83065905) is 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine is CC1(OCc2cc(Cl)ccc2Cl)CNC1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine?
The InChIKey is UOYCIPBAZVTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(6-14-7-11)15-5-8-4-9(12)2-3-10(8)13/h2-4,14H,5-7H2,1H3.
What are the key properties of 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine?
3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine has a molecular weight of 246.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine is sourced from PubChem (CID 83065905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).