4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde

C15H15ClN2O — CID 114844001

IUPAC4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
SMILESCN(CCc1ccncc1)c1cc(Cl)ccc1C=O
InChIInChI=1S/C15H15ClN2O/c1-18(9-6-12-4-7-17-8-5-12)15-10-14(16)3-2-13(15)11-19/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyVPUICVOBSNXZFR-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.23
Rot. Bonds5

About 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde

4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde (PubChem CID 114844001) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
PubChem CID114844001
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
SMILESCN(CCc1ccncc1)c1cc(Cl)ccc1C=O
InChIInChI=1S/C15H15ClN2O/c1-18(9-6-12-4-7-17-8-5-12)15-10-14(16)3-2-13(15)11-19/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyVPUICVOBSNXZFR-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 ≤ 500274.75
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 114844058
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
CID 114843956
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
4-(chloromethyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 54944105
2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
CID 114843948
4-[methyl(2-pyridin-4-ylethyl)amino]-3-nitrobenzaldehyde
CID 60913384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde?
The IUPAC name of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde (CID 114844001) is 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde?
The canonical SMILES for 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde is CN(CCc1ccncc1)c1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde?
The InChIKey is VPUICVOBSNXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(9-6-12-4-7-17-8-5-12)15-10-14(16)3-2-13(15)11-19/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde?
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde has a molecular weight of 274.75 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-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde is sourced from PubChem (CID 114844001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).