3-methoxy-4-(4-methylanilino)benzaldehyde

C15H15NO2 — CID 53465734

IUPAC3-methoxy-4-(4-methylanilino)benzaldehyde
SMILESCOc1cc(C=O)ccc1Nc1ccc(C)cc1
InChIInChI=1S/C15H15NO2/c1-11-3-6-13(7-4-11)16-14-8-5-12(10-17)9-15(14)18-2/h3-10,16H,1-2H3
InChIKeyLLJDOBRXBQBFDM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.56
Rot. Bonds4

About 3-methoxy-4-(4-methylanilino)benzaldehyde

3-methoxy-4-(4-methylanilino)benzaldehyde (PubChem CID 53465734) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylanilino)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(4-methylanilino)benzaldehyde
PubChem CID53465734
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-methoxy-4-(4-methylanilino)benzaldehyde
SMILESCOc1cc(C=O)ccc1Nc1ccc(C)cc1
InChIInChI=1S/C15H15NO2/c1-11-3-6-13(7-4-11)16-14-8-5-12(10-17)9-15(14)18-2/h3-10,16H,1-2H3
InChIKeyLLJDOBRXBQBFDM-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(4-methylanilino)benzaldehyde 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

carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
[6-formyl-2-(4-methylanilino)naphthalen-1-yl] hydrogen sulfite
CID 174234200
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
ethane;3-methoxy-4-(4-methylphenyl)sulfanyloxybenzaldehyde;propane
CID 145113229
CID 130345281
CID 130345281
2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7612189
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
N-[2-methoxy-4-[3-methoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4200270

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylanilino)benzaldehyde?
The IUPAC name of 3-methoxy-4-(4-methylanilino)benzaldehyde (CID 53465734) is 3-methoxy-4-(4-methylanilino)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(4-methylanilino)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(4-methylanilino)benzaldehyde is COc1cc(C=O)ccc1Nc1ccc(C)cc1.
What is the InChIKey of 3-methoxy-4-(4-methylanilino)benzaldehyde?
The InChIKey is LLJDOBRXBQBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-3-6-13(7-4-11)16-14-8-5-12(10-17)9-15(14)18-2/h3-10,16H,1-2H3.
What are the key properties of 3-methoxy-4-(4-methylanilino)benzaldehyde?
3-methoxy-4-(4-methylanilino)benzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylanilino)benzaldehyde is sourced from PubChem (CID 53465734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).