2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde

C11H15NO — CID 116954143

IUPAC2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(C)cc1C
InChIInChI=1S/C11H15NO/c1-8-4-5-10(9(2)6-8)11(7-13)12-3/h4-7,11-12H,1-3H3
InChIKeyZKHKSUZECUXBEN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde

2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde (PubChem CID 116954143) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde
PubChem CID116954143
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(C)cc1C
InChIInChI=1S/C11H15NO/c1-8-4-5-10(9(2)6-8)11(7-13)12-3/h4-7,11-12H,1-3H3
InChIKeyZKHKSUZECUXBEN-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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

(E)-4-(2,4-dimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956287
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
CID 116955821
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 114249001
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde (CID 116954143) is 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde is CNC(C=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde?
The InChIKey is ZKHKSUZECUXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-10(9(2)6-8)11(7-13)12-3/h4-7,11-12H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde?
2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde has a molecular weight of 177.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde is sourced from PubChem (CID 116954143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).