4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde

C17H19NO — CID 55223236

IUPAC4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde
SMILESCCN(c1ccc(C)cc1)c1ccc(C=O)c(C)c1
InChIInChI=1S/C17H19NO/c1-4-18(16-8-5-13(2)6-9-16)17-10-7-15(12-19)14(3)11-17/h5-12H,4H2,1-3H3
InChIKeyJSCGTYRDVNBUHV-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.27
Rot. Bonds4

About 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde

4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde (PubChem CID 55223236) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde
PubChem CID55223236
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde
SMILESCCN(c1ccc(C)cc1)c1ccc(C=O)c(C)c1
InChIInChI=1S/C17H19NO/c1-4-18(16-8-5-13(2)6-9-16)17-10-7-15(12-19)14(3)11-17/h5-12H,4H2,1-3H3
InChIKeyJSCGTYRDVNBUHV-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(N-ethylanilino)-2-methylbenzaldehyde
CID 62135921
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905
4-[butan-2-yl(ethyl)amino]-2-methylbenzaldehyde
CID 62135587
4-bromo-2-(N-ethyl-4-methylanilino)benzaldehyde
CID 63536652
4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
CID 63536813
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
CID 62134065
4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
CID 82951514
2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
CID 114054158
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 62135933
azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene
CID 159134998
3-(4-formyl-N,3-dimethylanilino)butanenitrile
CID 63223070

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde?
The IUPAC name of 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde (CID 55223236) is 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde?
The canonical SMILES for 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde is CCN(c1ccc(C)cc1)c1ccc(C=O)c(C)c1.
What is the InChIKey of 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde?
The InChIKey is JSCGTYRDVNBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-18(16-8-5-13(2)6-9-16)17-10-7-15(12-19)14(3)11-17/h5-12H,4H2,1-3H3.
What are the key properties of 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde?
4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde has a molecular weight of 253.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde is sourced from PubChem (CID 55223236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).