N-methyl-3-(methylperoxymethyl)aniline

C9H13NO2 — CID 20699956

IUPACN-methyl-3-(methylperoxymethyl)aniline
SMILESCNc1cccc(COOC)c1
InChIInChI=1S/C9H13NO2/c1-10-9-5-3-4-8(6-9)7-12-11-2/h3-6,10H,7H2,1-2H3
InChIKeyCFWGSBQWXSDYSJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-3-(methylperoxymethyl)aniline

N-methyl-3-(methylperoxymethyl)aniline (PubChem CID 20699956) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-3-(methylperoxymethyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(methylperoxymethyl)aniline
PubChem CID20699956
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-methyl-3-(methylperoxymethyl)aniline
SMILESCNc1cccc(COOC)c1
InChIInChI=1S/C9H13NO2/c1-10-9-5-3-4-8(6-9)7-12-11-2/h3-6,10H,7H2,1-2H3
InChIKeyCFWGSBQWXSDYSJ-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-methylaniline
CID 23080905
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
3-(bromomethyl)-N-methylaniline
CID 147410245
1-(methylperoxymethyl)-3-propan-2-ylbenzene
CID 21360564
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
CID 153398401
[3-(methylperoxymethyl)phenyl]boronic acid
CID 88958217
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902
3-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212240

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylperoxymethyl)aniline?
The IUPAC name of N-methyl-3-(methylperoxymethyl)aniline (CID 20699956) is N-methyl-3-(methylperoxymethyl)aniline.
What is the SMILES notation for N-methyl-3-(methylperoxymethyl)aniline?
The canonical SMILES for N-methyl-3-(methylperoxymethyl)aniline is CNc1cccc(COOC)c1.
What is the InChIKey of N-methyl-3-(methylperoxymethyl)aniline?
The InChIKey is CFWGSBQWXSDYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-9-5-3-4-8(6-9)7-12-11-2/h3-6,10H,7H2,1-2H3.
What are the key properties of N-methyl-3-(methylperoxymethyl)aniline?
N-methyl-3-(methylperoxymethyl)aniline has a molecular weight of 167.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylperoxymethyl)aniline is sourced from PubChem (CID 20699956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).