4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde

C11H14ClNO2 — CID 114844058

IUPAC4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
SMILESCOCCN(C)c1cc(Cl)ccc1C=O
InChIInChI=1S/C11H14ClNO2/c1-13(5-6-15-2)11-7-10(12)4-3-9(11)8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyXXEOGGNUEBJEFS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.24
Rot. Bonds5

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

4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde (PubChem CID 114844058) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
PubChem CID114844058
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
SMILESCOCCN(C)c1cc(Cl)ccc1C=O
InChIInChI=1S/C11H14ClNO2/c1-13(5-6-15-2)11-7-10(12)4-3-9(11)8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyXXEOGGNUEBJEFS-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.24
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-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
CID 114844506
4-chloro-2-[(2-hydroxy-3-methoxypropyl)-methylamino]benzaldehyde
CID 114844149
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
CID 114843948
3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 61427708
2-[tert-butyl(methyl)amino]-4-chlorobenzaldehyde
CID 130756589
4-chloro-2-[methyl(pentan-3-yl)amino]benzaldehyde
CID 114843974
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
CID 114843956
5-chloro-2-[methyl(pentyl)amino]benzaldehyde
CID 114843937
4-chloro-2-[methyl(oxan-4-ylmethyl)amino]benzaldehyde
CID 114844340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde?
The IUPAC name of 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde (CID 114844058) is 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde?
The canonical SMILES for 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde is COCCN(C)c1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde?
The InChIKey is XXEOGGNUEBJEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13(5-6-15-2)11-7-10(12)4-3-9(11)8-14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde?
4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde has a molecular weight of 227.69 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 114844058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).