N-(tert-butylperoxymethyl)-N-ethylaniline

C13H21NO2 — CID 584206

IUPACN-(tert-butylperoxymethyl)-N-ethylaniline
SMILESCCN(COOC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-5-14(11-15-16-13(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKeyCEFYHBXIIUEZTI-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.22
Rot. Bonds5

About N-(tert-butylperoxymethyl)-N-ethylaniline

N-(tert-butylperoxymethyl)-N-ethylaniline (PubChem CID 584206) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(tert-butylperoxymethyl)-N-ethylaniline.

Molecular Properties

Compound NameN-(tert-butylperoxymethyl)-N-ethylaniline
PubChem CID584206
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(tert-butylperoxymethyl)-N-ethylaniline
SMILESCCN(COOC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-5-14(11-15-16-13(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKeyCEFYHBXIIUEZTI-UHFFFAOYSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylperoxymethyl)-N-ethylaniline?
The IUPAC name of N-(tert-butylperoxymethyl)-N-ethylaniline (CID 584206) is N-(tert-butylperoxymethyl)-N-ethylaniline.
What is the SMILES notation for N-(tert-butylperoxymethyl)-N-ethylaniline?
The canonical SMILES for N-(tert-butylperoxymethyl)-N-ethylaniline is CCN(COOC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(tert-butylperoxymethyl)-N-ethylaniline?
The InChIKey is CEFYHBXIIUEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(11-15-16-13(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3.
What are the key properties of N-(tert-butylperoxymethyl)-N-ethylaniline?
N-(tert-butylperoxymethyl)-N-ethylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylperoxymethyl)-N-ethylaniline is sourced from PubChem (CID 584206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).