2-(2,3,4-trimethylanilino)acetaldehyde

C11H15NO — CID 115222704

IUPAC2-(2,3,4-trimethylanilino)acetaldehyde
SMILESCc1ccc(NCC=O)c(C)c1C
InChIInChI=1S/C11H15NO/c1-8-4-5-11(12-6-7-13)10(3)9(8)2/h4-5,7,12H,6H2,1-3H3
InChIKeyIQRDJQDZNDHFTE-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.22
Rot. Bonds3

About 2-(2,3,4-trimethylanilino)acetaldehyde

2-(2,3,4-trimethylanilino)acetaldehyde (PubChem CID 115222704) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(2,3,4-trimethylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2,3,4-trimethylanilino)acetaldehyde
PubChem CID115222704
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(2,3,4-trimethylanilino)acetaldehyde
SMILESCc1ccc(NCC=O)c(C)c1C
InChIInChI=1S/C11H15NO/c1-8-4-5-11(12-6-7-13)10(3)9(8)2/h4-5,7,12H,6H2,1-3H3
InChIKeyIQRDJQDZNDHFTE-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115222066
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
2-(2-methylsulfonylanilino)acetaldehyde
CID 21244567
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
methyl 2,2-dimethyl-3-(2,3,4-trimethylanilino)propanoate
CID 115233608
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)
CID 175591909

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethylanilino)acetaldehyde?
The IUPAC name of 2-(2,3,4-trimethylanilino)acetaldehyde (CID 115222704) is 2-(2,3,4-trimethylanilino)acetaldehyde.
What is the SMILES notation for 2-(2,3,4-trimethylanilino)acetaldehyde?
The canonical SMILES for 2-(2,3,4-trimethylanilino)acetaldehyde is Cc1ccc(NCC=O)c(C)c1C.
What is the InChIKey of 2-(2,3,4-trimethylanilino)acetaldehyde?
The InChIKey is IQRDJQDZNDHFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-11(12-6-7-13)10(3)9(8)2/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethylanilino)acetaldehyde?
2-(2,3,4-trimethylanilino)acetaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylanilino)acetaldehyde is sourced from PubChem (CID 115222704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).