3-[(3,4-dichlorophenoxy)methyl]azetidine

C10H11Cl2NO — CID 71133730

IUPAC3-[(3,4-dichlorophenoxy)methyl]azetidine
SMILESClc1ccc(OCC2CNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-9-2-1-8(3-10(9)12)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyNVNQVQDQDUSSNA-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.59
Rot. Bonds3

About 3-[(3,4-dichlorophenoxy)methyl]azetidine

3-[(3,4-dichlorophenoxy)methyl]azetidine (PubChem CID 71133730) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenoxy)methyl]azetidine
PubChem CID71133730
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-[(3,4-dichlorophenoxy)methyl]azetidine
SMILESClc1ccc(OCC2CNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-9-2-1-8(3-10(9)12)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyNVNQVQDQDUSSNA-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
6-(azetidin-3-ylmethoxy)-1H-benzimidazole
CID 84671565
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
5-(azetidin-3-ylmethoxy)-1,3-benzoxazole
CID 84672193
6-(azetidin-3-ylmethoxy)quinoline
CID 86262198
3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
CID 118706043
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
3-(1-benzofuran-5-yloxymethyl)azetidine
CID 84671433
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole
CID 84683768

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]azetidine?
The IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]azetidine (CID 71133730) is 3-[(3,4-dichlorophenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(3,4-dichlorophenoxy)methyl]azetidine?
The canonical SMILES for 3-[(3,4-dichlorophenoxy)methyl]azetidine is Clc1ccc(OCC2CNC2)cc1Cl.
What is the InChIKey of 3-[(3,4-dichlorophenoxy)methyl]azetidine?
The InChIKey is NVNQVQDQDUSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-9-2-1-8(3-10(9)12)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-[(3,4-dichlorophenoxy)methyl]azetidine?
3-[(3,4-dichlorophenoxy)methyl]azetidine has a molecular weight of 232.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenoxy)methyl]azetidine is sourced from PubChem (CID 71133730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).