3-(4-methoxyphenyl)-1,2,2-trimethylaziridine

C12H17NO — CID 162398178

IUPAC3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
SMILESCOc1ccc(C2N(C)C2(C)C)cc1
InChIInChI=1S/C12H17NO/c1-12(2)11(13(12)3)9-5-7-10(14-4)8-6-9/h5-8,11H,1-4H3
InChIKeyLQTUHOJWUCWUNU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.46
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine

3-(4-methoxyphenyl)-1,2,2-trimethylaziridine (PubChem CID 162398178) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
PubChem CID162398178
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
SMILESCOc1ccc(C2N(C)C2(C)C)cc1
InChIInChI=1S/C12H17NO/c1-12(2)11(13(12)3)9-5-7-10(14-4)8-6-9/h5-8,11H,1-4H3
InChIKeyLQTUHOJWUCWUNU-UHFFFAOYSA-N
XLogP2.46
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
(2S,3R)-2-fluoro-3-(4-methoxyphenyl)-1,2-diphenylaziridine
CID 11544255
(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 42604410
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
3,3-dichloro-2-(4-methoxyphenyl)-1-propan-2-ylazetidine
CID 10912704
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
(2R,6R)-2,6-bis(4-methoxyphenyl)-3,3-dimethyl-4-oxopiperidine-1-carbaldehyde
CID 139076255
5-ethyl-2-(4-methoxyphenyl)-3,5-dimethylimidazolidin-4-one
CID 83261732
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine?
The IUPAC name of 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine (CID 162398178) is 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine is COc1ccc(C2N(C)C2(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine?
The InChIKey is LQTUHOJWUCWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)11(13(12)3)9-5-7-10(14-4)8-6-9/h5-8,11H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine?
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine has a molecular weight of 191.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2,2-trimethylaziridine is sourced from PubChem (CID 162398178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).