2-(2-methoxy-4,5-dimethylanilino)acetaldehyde

C11H15NO2 — CID 115222617

IUPAC2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
SMILESCOc1cc(C)c(C)cc1NCC=O
InChIInChI=1S/C11H15NO2/c1-8-6-10(12-4-5-13)11(14-3)7-9(8)2/h5-7,12H,4H2,1-3H3
InChIKeyLEKGSFVHFDACPO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde

2-(2-methoxy-4,5-dimethylanilino)acetaldehyde (PubChem CID 115222617) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
PubChem CID115222617
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
SMILESCOc1cc(C)c(C)cc1NCC=O
InChIInChI=1S/C11H15NO2/c1-8-6-10(12-4-5-13)11(14-3)7-9(8)2/h5-7,12H,4H2,1-3H3
InChIKeyLEKGSFVHFDACPO-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
CID 115222701
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
2-(2,4,6-trimethoxyanilino)acetaldehyde
CID 115222665
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
(2,5-dimethoxy-4-methylanilino)methanethiol
CID 115227630
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
2-[4-(4-amino-2-methoxyanilino)-2,5-dihydroxyanilino]acetaldehyde
CID 123986700
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
2-[(2-methoxy-4,5-dimethylanilino)methyl]-3-methylbutanoic acid
CID 115250182
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde?
The IUPAC name of 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde (CID 115222617) is 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde is COc1cc(C)c(C)cc1NCC=O.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde?
The InChIKey is LEKGSFVHFDACPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-10(12-4-5-13)11(14-3)7-9(8)2/h5-7,12H,4H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde?
2-(2-methoxy-4,5-dimethylanilino)acetaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylanilino)acetaldehyde is sourced from PubChem (CID 115222617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).