2-(4-tert-butyl-N-methylanilino)acetaldehyde

C13H19NO — CID 115222720

IUPAC2-(4-tert-butyl-N-methylanilino)acetaldehyde
SMILESCN(CC=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)11-5-7-12(8-6-11)14(4)9-10-15/h5-8,10H,9H2,1-4H3
InChIKeyWJWNFPFBTOTJLT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds3

About 2-(4-tert-butyl-N-methylanilino)acetaldehyde

2-(4-tert-butyl-N-methylanilino)acetaldehyde (PubChem CID 115222720) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)acetaldehyde
PubChem CID115222720
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(4-tert-butyl-N-methylanilino)acetaldehyde
SMILESCN(CC=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)11-5-7-12(8-6-11)14(4)9-10-15/h5-8,10H,9H2,1-4H3
InChIKeyWJWNFPFBTOTJLT-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butyl-N-methylanilino)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[methyl(2-oxoethyl)amino]phenyl]boronic acid
CID 152548297
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
CID 164888002
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260561
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135181
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
N-[(4-tert-butylphenyl)methyl]-N-methylformamide
CID 64992471
3-(4-tert-butylphenyl)propanal
CID 87303470
2-[4-(dimethylamino)phenyl]-2-methylpropanal
CID 83684941

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)acetaldehyde?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)acetaldehyde (CID 115222720) is 2-(4-tert-butyl-N-methylanilino)acetaldehyde.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)acetaldehyde?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)acetaldehyde is CN(CC=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)acetaldehyde?
The InChIKey is WJWNFPFBTOTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)11-5-7-12(8-6-11)14(4)9-10-15/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-N-methylanilino)acetaldehyde?
2-(4-tert-butyl-N-methylanilino)acetaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)acetaldehyde is sourced from PubChem (CID 115222720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).