2-(3,4-dimethoxyphenyl)-1-phenylaziridine

C16H17NO2 — CID 10682448

IUPAC2-(3,4-dimethoxyphenyl)-1-phenylaziridine
SMILESCOc1ccc(C2CN2c2ccccc2)cc1OC
InChIInChI=1S/C16H17NO2/c1-18-15-9-8-12(10-16(15)19-2)14-11-17(14)13-6-4-3-5-7-13/h3-10,14H,11H2,1-2H3
InChIKeyPNUWXYXJXNYKCM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1-phenylaziridine

2-(3,4-dimethoxyphenyl)-1-phenylaziridine (PubChem CID 10682448) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-phenylaziridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-phenylaziridine
PubChem CID10682448
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(3,4-dimethoxyphenyl)-1-phenylaziridine
SMILESCOc1ccc(C2CN2c2ccccc2)cc1OC
InChIInChI=1S/C16H17NO2/c1-18-15-9-8-12(10-16(15)19-2)14-11-17(14)13-6-4-3-5-7-13/h3-10,14H,11H2,1-2H3
InChIKeyPNUWXYXJXNYKCM-UHFFFAOYSA-N
XLogP3.27
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-dimethoxyphenyl)-1-phenylaziridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-phenylaziridine (CID 10682448) is 2-(3,4-dimethoxyphenyl)-1-phenylaziridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-phenylaziridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-phenylaziridine is COc1ccc(C2CN2c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-phenylaziridine?
The InChIKey is PNUWXYXJXNYKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-9-8-12(10-16(15)19-2)14-11-17(14)13-6-4-3-5-7-13/h3-10,14H,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-phenylaziridine?
2-(3,4-dimethoxyphenyl)-1-phenylaziridine has a molecular weight of 255.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-phenylaziridine is sourced from PubChem (CID 10682448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).