3-[(5-chloro-2-methylphenoxy)methyl]azetidine

C11H14ClNO — CID 126979014

IUPAC3-[(5-chloro-2-methylphenoxy)methyl]azetidine
SMILESCc1ccc(Cl)cc1OCC1CNC1
InChIInChI=1S/C11H14ClNO/c1-8-2-3-10(12)4-11(8)14-7-9-5-13-6-9/h2-4,9,13H,5-7H2,1H3
InChIKeyWKTYBQANFFWULM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.25
Rot. Bonds3

About 3-[(5-chloro-2-methylphenoxy)methyl]azetidine

3-[(5-chloro-2-methylphenoxy)methyl]azetidine (PubChem CID 126979014) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenoxy)methyl]azetidine
PubChem CID126979014
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-[(5-chloro-2-methylphenoxy)methyl]azetidine
SMILESCc1ccc(Cl)cc1OCC1CNC1
InChIInChI=1S/C11H14ClNO/c1-8-2-3-10(12)4-11(8)14-7-9-5-13-6-9/h2-4,9,13H,5-7H2,1H3
InChIKeyWKTYBQANFFWULM-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
CID 24902414
3-[(2,3,6-trimethylphenoxy)methyl]azetidine
CID 116820174
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
CID 167839312
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
(3R)-3-[(2-tert-butyl-4-chlorophenoxy)methyl]pyrrolidine
CID 86320408
(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774733

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenoxy)methyl]azetidine?
The IUPAC name of 3-[(5-chloro-2-methylphenoxy)methyl]azetidine (CID 126979014) is 3-[(5-chloro-2-methylphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(5-chloro-2-methylphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(5-chloro-2-methylphenoxy)methyl]azetidine is Cc1ccc(Cl)cc1OCC1CNC1.
What is the InChIKey of 3-[(5-chloro-2-methylphenoxy)methyl]azetidine?
The InChIKey is WKTYBQANFFWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-2-3-10(12)4-11(8)14-7-9-5-13-6-9/h2-4,9,13H,5-7H2,1H3.
What are the key properties of 3-[(5-chloro-2-methylphenoxy)methyl]azetidine?
3-[(5-chloro-2-methylphenoxy)methyl]azetidine has a molecular weight of 211.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenoxy)methyl]azetidine is sourced from PubChem (CID 126979014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).