4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde

C13H12ClNOS — CID 114843956

IUPAC4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
SMILESCN(Cc1ccsc1)c1cc(Cl)ccc1C=O
InChIInChI=1S/C13H12ClNOS/c1-15(7-10-4-5-17-9-10)13-6-12(14)3-2-11(13)8-16/h2-6,8-9H,7H2,1H3
InChIKeyLLNZTYLJGOSDQZ-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde

4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde (PubChem CID 114843956) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
PubChem CID114843956
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
SMILESCN(Cc1ccsc1)c1cc(Cl)ccc1C=O
InChIInChI=1S/C13H12ClNOS/c1-15(7-10-4-5-17-9-10)13-6-12(14)3-2-11(13)8-16/h2-6,8-9H,7H2,1H3
InChIKeyLLNZTYLJGOSDQZ-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.85
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

(E)-3-[4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 114858148
(E)-3-[5-chloro-2-[methyl(thiophen-3-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 114858150
2-(bromomethyl)-4-chloro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 107080241
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 114844058
2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
CID 114844120
4-chloro-2-[methyl(pentan-3-yl)amino]benzaldehyde
CID 114843974
2-chloro-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 43528045
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
CID 114843948
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde?
The IUPAC name of 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde (CID 114843956) is 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde?
The canonical SMILES for 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde is CN(Cc1ccsc1)c1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde?
The InChIKey is LLNZTYLJGOSDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-15(7-10-4-5-17-9-10)13-6-12(14)3-2-11(13)8-16/h2-6,8-9H,7H2,1H3.
What are the key properties of 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde?
4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde has a molecular weight of 265.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde is sourced from PubChem (CID 114843956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).