4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde

C17H19NO — CID 63536813

IUPAC4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
SMILESCCN(c1ccc(C)cc1)c1ccc(C=O)cc1C
InChIInChI=1S/C17H19NO/c1-4-18(16-8-5-13(2)6-9-16)17-10-7-15(12-19)11-14(17)3/h5-12H,4H2,1-3H3
InChIKeyLPHZSXSTUXNBOB-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.27
Rot. Bonds4

About 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde

4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde (PubChem CID 63536813) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
PubChem CID63536813
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
SMILESCCN(c1ccc(C)cc1)c1ccc(C=O)cc1C
InChIInChI=1S/C17H19NO/c1-4-18(16-8-5-13(2)6-9-16)17-10-7-15(12-19)11-14(17)3/h5-12H,4H2,1-3H3
InChIKeyLPHZSXSTUXNBOB-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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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde?
The IUPAC name of 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde (CID 63536813) is 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde?
The canonical SMILES for 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde is CCN(c1ccc(C)cc1)c1ccc(C=O)cc1C.
What is the InChIKey of 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde?
The InChIKey is LPHZSXSTUXNBOB-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)11-14(17)3/h5-12H,4H2,1-3H3.
What are the key properties of 4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde?
4-(N-ethyl-4-methylanilino)-3-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)-3-methylbenzaldehyde is sourced from PubChem (CID 63536813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).