3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde

C15H16ClNOS — CID 81146289

IUPAC3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
SMILESCC(Cc1cccs1)N(C)c1ccc(C=O)cc1Cl
InChIInChI=1S/C15H16ClNOS/c1-11(8-13-4-3-7-19-13)17(2)15-6-5-12(10-18)9-14(15)16/h3-7,9-11H,8H2,1-2H3
InChIKeyNCPDXAAMMQIEIY-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.28
Rot. Bonds5

About 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde

3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde (PubChem CID 81146289) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
PubChem CID81146289
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
SMILESCC(Cc1cccs1)N(C)c1ccc(C=O)cc1Cl
InChIInChI=1S/C15H16ClNOS/c1-11(8-13-4-3-7-19-13)17(2)15-6-5-12(10-18)9-14(15)16/h3-7,9-11H,8H2,1-2H3
InChIKeyNCPDXAAMMQIEIY-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.28
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

1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
CID 79476527
2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
3-chloro-N-methyl-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 104839090
3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145708
5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde
CID 79475732
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
3-chloro-4-[methyl(1-methylsulfanylbutan-2-yl)amino]benzaldehyde
CID 112661331
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
3-chloro-4-[1-(3-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145827
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde?
The IUPAC name of 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde (CID 81146289) is 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde?
The canonical SMILES for 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde is CC(Cc1cccs1)N(C)c1ccc(C=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde?
The InChIKey is NCPDXAAMMQIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-11(8-13-4-3-7-19-13)17(2)15-6-5-12(10-18)9-14(15)16/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde?
3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde has a molecular weight of 293.82 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde is sourced from PubChem (CID 81146289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).