4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde

C16H18N2O — CID 55040153

IUPAC4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
SMILESCCN(Cc1ccncc1)c1ccc(C=O)cc1C
InChIInChI=1S/C16H18N2O/c1-3-18(11-14-6-8-17-9-7-14)16-5-4-15(12-19)10-13(16)2/h4-10,12H,3,11H2,1-2H3
InChIKeyMXJQECKXJBMUEW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.23
Rot. Bonds5

About 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde

4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde (PubChem CID 55040153) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
PubChem CID55040153
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
SMILESCCN(Cc1ccncc1)c1ccc(C=O)cc1C
InChIInChI=1S/C16H18N2O/c1-3-18(11-14-6-8-17-9-7-14)16-5-4-15(12-19)10-13(16)2/h4-10,12H,3,11H2,1-2H3
InChIKeyMXJQECKXJBMUEW-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde
CID 63052408
3-methyl-4-(pyridin-4-ylmethyl)benzaldehyde
CID 81447720
4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
CID 102994596
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
CID 63536813
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
propane;pyridine-4-carbaldehyde
CID 144763024
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde?
The IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde (CID 55040153) is 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde?
The canonical SMILES for 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde is CCN(Cc1ccncc1)c1ccc(C=O)cc1C.
What is the InChIKey of 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde?
The InChIKey is MXJQECKXJBMUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-18(11-14-6-8-17-9-7-14)16-5-4-15(12-19)10-13(16)2/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde?
4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde is sourced from PubChem (CID 55040153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).