2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde

C17H19NO — CID 114054158

IUPAC2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
SMILESCCN(c1cccc(C)c1)c1ccc(C)cc1C=O
InChIInChI=1S/C17H19NO/c1-4-18(16-7-5-6-13(2)11-16)17-9-8-14(3)10-15(17)12-19/h5-12H,4H2,1-3H3
InChIKeyGWWJJQLHOWWSJY-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.27
Rot. Bonds4

About 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde

2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde (PubChem CID 114054158) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
PubChem CID114054158
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
SMILESCCN(c1cccc(C)c1)c1ccc(C)cc1C=O
InChIInChI=1S/C17H19NO/c1-4-18(16-7-5-6-13(2)11-16)17-9-8-14(3)10-15(17)12-19/h5-12H,4H2,1-3H3
InChIKeyGWWJJQLHOWWSJY-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

2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde
CID 114054202
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688
3-amino-4-(N-ethyl-3-methylanilino)benzamide
CID 61076216
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
CID 114848692
4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde
CID 55223236
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
CID 95473071
[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde (CID 114054158) is 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde is CCN(c1cccc(C)c1)c1ccc(C)cc1C=O.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde?
The InChIKey is GWWJJQLHOWWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-18(16-7-5-6-13(2)11-16)17-9-8-14(3)10-15(17)12-19/h5-12H,4H2,1-3H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde?
2-(N-ethyl-3-methylanilino)-5-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 2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde is sourced from PubChem (CID 114054158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).