2-methyl-2-(4-phenoxyphenyl)aziridine

C15H15NO — CID 82473434

IUPAC2-methyl-2-(4-phenoxyphenyl)aziridine
SMILESCC1(c2ccc(Oc3ccccc3)cc2)CN1
InChIInChI=1S/C15H15NO/c1-15(11-16-15)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyKAKZCUWQJGGLAL-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.30
Rot. Bonds3

About 2-methyl-2-(4-phenoxyphenyl)aziridine

2-methyl-2-(4-phenoxyphenyl)aziridine (PubChem CID 82473434) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-2-(4-phenoxyphenyl)aziridine.

Molecular Properties

Compound Name2-methyl-2-(4-phenoxyphenyl)aziridine
PubChem CID82473434
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-methyl-2-(4-phenoxyphenyl)aziridine
SMILESCC1(c2ccc(Oc3ccccc3)cc2)CN1
InChIInChI=1S/C15H15NO/c1-15(11-16-15)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyKAKZCUWQJGGLAL-UHFFFAOYSA-N
XLogP3.30
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-phenoxyphenyl)aziridine?
The IUPAC name of 2-methyl-2-(4-phenoxyphenyl)aziridine (CID 82473434) is 2-methyl-2-(4-phenoxyphenyl)aziridine.
What is the SMILES notation for 2-methyl-2-(4-phenoxyphenyl)aziridine?
The canonical SMILES for 2-methyl-2-(4-phenoxyphenyl)aziridine is CC1(c2ccc(Oc3ccccc3)cc2)CN1.
What is the InChIKey of 2-methyl-2-(4-phenoxyphenyl)aziridine?
The InChIKey is KAKZCUWQJGGLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(11-16-15)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of 2-methyl-2-(4-phenoxyphenyl)aziridine?
2-methyl-2-(4-phenoxyphenyl)aziridine has a molecular weight of 225.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-phenoxyphenyl)aziridine is sourced from PubChem (CID 82473434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).