4-(N-ethylanilino)-2-methylbenzaldehyde

C16H17NO — CID 62135921

IUPAC4-(N-ethylanilino)-2-methylbenzaldehyde
SMILESCCN(c1ccccc1)c1ccc(C=O)c(C)c1
InChIInChI=1S/C16H17NO/c1-3-17(15-7-5-4-6-8-15)16-10-9-14(12-18)13(2)11-16/h4-12H,3H2,1-2H3
InChIKeyGVUMWQKYNBOGKZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.97
Rot. Bonds4

About 4-(N-ethylanilino)-2-methylbenzaldehyde

4-(N-ethylanilino)-2-methylbenzaldehyde (PubChem CID 62135921) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(N-ethylanilino)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(N-ethylanilino)-2-methylbenzaldehyde
PubChem CID62135921
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(N-ethylanilino)-2-methylbenzaldehyde
SMILESCCN(c1ccccc1)c1ccc(C=O)c(C)c1
InChIInChI=1S/C16H17NO/c1-3-17(15-7-5-4-6-8-15)16-10-9-14(12-18)13(2)11-16/h4-12H,3H2,1-2H3
InChIKeyGVUMWQKYNBOGKZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.97
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-ethylanilino)-2-methylbenzaldehyde?
The IUPAC name of 4-(N-ethylanilino)-2-methylbenzaldehyde (CID 62135921) is 4-(N-ethylanilino)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(N-ethylanilino)-2-methylbenzaldehyde?
The canonical SMILES for 4-(N-ethylanilino)-2-methylbenzaldehyde is CCN(c1ccccc1)c1ccc(C=O)c(C)c1.
What is the InChIKey of 4-(N-ethylanilino)-2-methylbenzaldehyde?
The InChIKey is GVUMWQKYNBOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-17(15-7-5-4-6-8-15)16-10-9-14(12-18)13(2)11-16/h4-12H,3H2,1-2H3.
What are the key properties of 4-(N-ethylanilino)-2-methylbenzaldehyde?
4-(N-ethylanilino)-2-methylbenzaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-2-methylbenzaldehyde is sourced from PubChem (CID 62135921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).