2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine

C11H14ClNO — CID 82470889

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
SMILESCOc1cc(C)c(Cl)c(C)c1C1CN1
InChIInChI=1S/C11H14ClNO/c1-6-4-9(14-3)10(8-5-13-8)7(2)11(6)12/h4,8,13H,5H2,1-3H3
InChIKeyYYBCROHXDSIKMR-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.61
Rot. Bonds2

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine (PubChem CID 82470889) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
PubChem CID82470889
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
SMILESCOc1cc(C)c(Cl)c(C)c1C1CN1
InChIInChI=1S/C11H14ClNO/c1-6-4-9(14-3)10(8-5-13-8)7(2)11(6)12/h4,8,13H,5H2,1-3H3
InChIKeyYYBCROHXDSIKMR-UHFFFAOYSA-N
XLogP2.61
TPSA31.17 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
CID 116829251
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
CID 82305275
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
CID 116863468
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine (CID 82470889) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine is COc1cc(C)c(Cl)c(C)c1C1CN1.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine?
The InChIKey is YYBCROHXDSIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-6-4-9(14-3)10(8-5-13-8)7(2)11(6)12/h4,8,13H,5H2,1-3H3.
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine has a molecular weight of 211.69 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine is sourced from PubChem (CID 82470889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).