2-(2,4,6-trimethoxyanilino)acetaldehyde

C11H15NO4 — CID 115222665

IUPAC2-(2,4,6-trimethoxyanilino)acetaldehyde
SMILESCOc1cc(OC)c(NCC=O)c(OC)c1
InChIInChI=1S/C11H15NO4/c1-14-8-6-9(15-2)11(12-4-5-13)10(7-8)16-3/h5-7,12H,4H2,1-3H3
InChIKeyZOKWGNCGPTXYAT-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.32
Rot. Bonds6

About 2-(2,4,6-trimethoxyanilino)acetaldehyde

2-(2,4,6-trimethoxyanilino)acetaldehyde (PubChem CID 115222665) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxyanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2,4,6-trimethoxyanilino)acetaldehyde
PubChem CID115222665
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2,4,6-trimethoxyanilino)acetaldehyde
SMILESCOc1cc(OC)c(NCC=O)c(OC)c1
InChIInChI=1S/C11H15NO4/c1-14-8-6-9(15-2)11(12-4-5-13)10(7-8)16-3/h5-7,12H,4H2,1-3H3
InChIKeyZOKWGNCGPTXYAT-UHFFFAOYSA-N
XLogP1.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
2-(2,4,6-trimethoxyanilino)ethanethiol
CID 115223691
2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
CID 115222617
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide
CID 87851422
4-(3-oxopropyl)-N-(2,4,6-trimethoxyphenyl)piperazine-1-carboxamide
CID 87851551
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
CID 11461073
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
(2,4-dimethoxyphenyl) formate
CID 11137749

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxyanilino)acetaldehyde?
The IUPAC name of 2-(2,4,6-trimethoxyanilino)acetaldehyde (CID 115222665) is 2-(2,4,6-trimethoxyanilino)acetaldehyde.
What is the SMILES notation for 2-(2,4,6-trimethoxyanilino)acetaldehyde?
The canonical SMILES for 2-(2,4,6-trimethoxyanilino)acetaldehyde is COc1cc(OC)c(NCC=O)c(OC)c1.
What is the InChIKey of 2-(2,4,6-trimethoxyanilino)acetaldehyde?
The InChIKey is ZOKWGNCGPTXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-8-6-9(15-2)11(12-4-5-13)10(7-8)16-3/h5-7,12H,4H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethoxyanilino)acetaldehyde?
2-(2,4,6-trimethoxyanilino)acetaldehyde has a molecular weight of 225.24 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethoxyanilino)acetaldehyde is sourced from PubChem (CID 115222665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).