2-(5-chloro-2-methoxyphenyl)-4-methylazetidine

C11H14ClNO — CID 116821949

IUPAC2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
SMILESCOc1ccc(Cl)cc1C1CC(C)N1
InChIInChI=1S/C11H14ClNO/c1-7-5-10(13-7)9-6-8(12)3-4-11(9)14-2/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeyRSAVIKVUPOQJPB-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.77
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine

2-(5-chloro-2-methoxyphenyl)-4-methylazetidine (PubChem CID 116821949) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
PubChem CID116821949
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
SMILESCOc1ccc(Cl)cc1C1CC(C)N1
InChIInChI=1S/C11H14ClNO/c1-7-5-10(13-7)9-6-8(12)3-4-11(9)14-2/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeyRSAVIKVUPOQJPB-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
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2-(5-chloro-2-methoxyphenyl)azepane
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2-(5-chloro-2-methoxyphenyl)oxirane
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7-chloro-2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3469469
6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3427840
(2S)-2-(5-chloro-2-methoxyphenyl)pyrrolidin-1-ium
CID 7047874
CID 161270720
CID 161270720
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
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3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine (CID 116821949) is 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine is COc1ccc(Cl)cc1C1CC(C)N1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine?
The InChIKey is RSAVIKVUPOQJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-10(13-7)9-6-8(12)3-4-11(9)14-2/h3-4,6-7,10,13H,5H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine?
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine has a molecular weight of 211.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-methylazetidine is sourced from PubChem (CID 116821949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).