2-(4-ethylphenyl)-2-methylaziridine

C11H15N — CID 82467898

IUPAC2-(4-ethylphenyl)-2-methylaziridine
SMILESCCc1ccc(C2(C)CN2)cc1
InChIInChI=1S/C11H15N/c1-3-9-4-6-10(7-5-9)11(2)8-12-11/h4-7,12H,3,8H2,1-2H3
InChIKeyOPZJCAOKMQOHTI-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.07
Rot. Bonds2

About 2-(4-ethylphenyl)-2-methylaziridine

2-(4-ethylphenyl)-2-methylaziridine (PubChem CID 82467898) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-methylaziridine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-methylaziridine
PubChem CID82467898
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-(4-ethylphenyl)-2-methylaziridine
SMILESCCc1ccc(C2(C)CN2)cc1
InChIInChI=1S/C11H15N/c1-3-9-4-6-10(7-5-9)11(2)8-12-11/h4-7,12H,3,8H2,1-2H3
InChIKeyOPZJCAOKMQOHTI-UHFFFAOYSA-N
XLogP2.07
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
CID 66106295
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
2-ethyl-2-(4-ethylphenyl)pyrrolidine
CID 66467145
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
7-ethyl-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 82125519
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
[1-(4-ethylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 83700838
2-methyl-2-(4-phenoxyphenyl)aziridine
CID 82473434
4-(4-ethylphenyl)-4-methyloxane
CID 130287454
5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-methylaziridine?
The IUPAC name of 2-(4-ethylphenyl)-2-methylaziridine (CID 82467898) is 2-(4-ethylphenyl)-2-methylaziridine.
What is the SMILES notation for 2-(4-ethylphenyl)-2-methylaziridine?
The canonical SMILES for 2-(4-ethylphenyl)-2-methylaziridine is CCc1ccc(C2(C)CN2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-methylaziridine?
The InChIKey is OPZJCAOKMQOHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-4-6-10(7-5-9)11(2)8-12-11/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-methylaziridine?
2-(4-ethylphenyl)-2-methylaziridine has a molecular weight of 161.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-methylaziridine is sourced from PubChem (CID 82467898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).