2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde

C17H19NO — CID 114054202

IUPAC2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde
SMILESCCc1ccc(N(C)c2ccc(C)cc2C=O)cc1
InChIInChI=1S/C17H19NO/c1-4-14-6-8-16(9-7-14)18(3)17-10-5-13(2)11-15(17)12-19/h5-12H,4H2,1-3H3
InChIKeyWDNDRZNDLQCXOJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde

2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde (PubChem CID 114054202) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde
PubChem CID114054202
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde
SMILESCCc1ccc(N(C)c2ccc(C)cc2C=O)cc1
InChIInChI=1S/C17H19NO/c1-4-14-6-8-16(9-7-14)18(3)17-10-5-13(2)11-15(17)12-19/h5-12H,4H2,1-3H3
InChIKeyWDNDRZNDLQCXOJ-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde?
The IUPAC name of 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde (CID 114054202) is 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde?
The canonical SMILES for 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde is CCc1ccc(N(C)c2ccc(C)cc2C=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde?
The InChIKey is WDNDRZNDLQCXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-14-6-8-16(9-7-14)18(3)17-10-5-13(2)11-15(17)12-19/h5-12H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde?
2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde has a molecular weight of 253.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylanilino)-5-methylbenzaldehyde is sourced from PubChem (CID 114054202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).