1-ethyl-2-(4-methylphenyl)aziridine

C11H15N — CID 121217804

IUPAC1-ethyl-2-(4-methylphenyl)aziridine
SMILESCCN1CC1c1ccc(C)cc1
InChIInChI=1S/C11H15N/c1-3-12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKeySZOKIVORZWCWIB-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.37
Rot. Bonds2

About 1-ethyl-2-(4-methylphenyl)aziridine

1-ethyl-2-(4-methylphenyl)aziridine (PubChem CID 121217804) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethyl-2-(4-methylphenyl)aziridine.

Molecular Properties

Compound Name1-ethyl-2-(4-methylphenyl)aziridine
PubChem CID121217804
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-ethyl-2-(4-methylphenyl)aziridine
SMILESCCN1CC1c1ccc(C)cc1
InChIInChI=1S/C11H15N/c1-3-12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKeySZOKIVORZWCWIB-UHFFFAOYSA-N
XLogP2.37
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methylphenyl)aziridine?
The IUPAC name of 1-ethyl-2-(4-methylphenyl)aziridine (CID 121217804) is 1-ethyl-2-(4-methylphenyl)aziridine.
What is the SMILES notation for 1-ethyl-2-(4-methylphenyl)aziridine?
The canonical SMILES for 1-ethyl-2-(4-methylphenyl)aziridine is CCN1CC1c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-2-(4-methylphenyl)aziridine?
The InChIKey is SZOKIVORZWCWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-methylphenyl)aziridine?
1-ethyl-2-(4-methylphenyl)aziridine has a molecular weight of 161.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methylphenyl)aziridine is sourced from PubChem (CID 121217804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).