N-(tert-butylperoxymethyl)-N-methylaniline

C12H19NO2 — CID 10889146

IUPACN-(tert-butylperoxymethyl)-N-methylaniline
SMILESCN(COOC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)15-14-10-13(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyGAUOHPCOSNMDAR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.83
Rot. Bonds4

About N-(tert-butylperoxymethyl)-N-methylaniline

N-(tert-butylperoxymethyl)-N-methylaniline (PubChem CID 10889146) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(tert-butylperoxymethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(tert-butylperoxymethyl)-N-methylaniline
PubChem CID10889146
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(tert-butylperoxymethyl)-N-methylaniline
SMILESCN(COOC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)15-14-10-13(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyGAUOHPCOSNMDAR-UHFFFAOYSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.83
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-methylaniline?
The IUPAC name of N-(tert-butylperoxymethyl)-N-methylaniline (CID 10889146) is N-(tert-butylperoxymethyl)-N-methylaniline.
What is the SMILES notation for N-(tert-butylperoxymethyl)-N-methylaniline?
The canonical SMILES for N-(tert-butylperoxymethyl)-N-methylaniline is CN(COOC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(tert-butylperoxymethyl)-N-methylaniline?
The InChIKey is GAUOHPCOSNMDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)15-14-10-13(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of N-(tert-butylperoxymethyl)-N-methylaniline?
N-(tert-butylperoxymethyl)-N-methylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylperoxymethyl)-N-methylaniline is sourced from PubChem (CID 10889146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).