3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde

C16H15Cl2NO — CID 81145708

IUPAC3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
SMILESCC(c1ccccc1Cl)N(C)c1ccc(C=O)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-11(13-5-3-4-6-14(13)17)19(2)16-8-7-12(10-20)9-15(16)18/h3-11H,1-2H3
InChIKeyXZAWZGWGCOIQOI-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.00
Rot. Bonds4

About 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde

3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde (PubChem CID 81145708) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
PubChem CID81145708
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
SMILESCC(c1ccccc1Cl)N(C)c1ccc(C=O)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-11(13-5-3-4-6-14(13)17)19(2)16-8-7-12(10-20)9-15(16)18/h3-11H,1-2H3
InChIKeyXZAWZGWGCOIQOI-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[1-(3-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145827
3-chloro-4-[methyl(1-methylsulfanylbutan-2-yl)amino]benzaldehyde
CID 112661331
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
CID 81146289
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
CID 63371749
2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
CID 63536816
3-chloro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
CID 81145822
3-chloro-4-[(4,4-dimethylcyclohexyl)-methylamino]benzaldehyde
CID 81145715
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 107926195
4-chloro-6-[1-(2-chlorophenyl)ethyl-methylamino]pyrimidine-5-carbaldehyde
CID 66366714
5-amino-2-[1-(2-chlorophenyl)ethyl-methylamino]benzonitrile
CID 62978272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde?
The IUPAC name of 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde (CID 81145708) is 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde?
The canonical SMILES for 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde is CC(c1ccccc1Cl)N(C)c1ccc(C=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde?
The InChIKey is XZAWZGWGCOIQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11(13-5-3-4-6-14(13)17)19(2)16-8-7-12(10-20)9-15(16)18/h3-11H,1-2H3.
What are the key properties of 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde?
3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde has a molecular weight of 308.21 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde is sourced from PubChem (CID 81145708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).