2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde

C13H12ClNOS — CID 61442333

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccc(Cl)s1)c1ccccc1C=O
InChIInChI=1S/C13H12ClNOS/c1-15(8-11-6-7-13(14)17-11)12-5-3-2-4-10(12)9-16/h2-7,9H,8H2,1H3
InChIKeyUXDKZWFQZIJXDK-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.85
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde

2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde (PubChem CID 61442333) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde
PubChem CID61442333
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccc(Cl)s1)c1ccccc1C=O
InChIInChI=1S/C13H12ClNOS/c1-15(8-11-6-7-13(14)17-11)12-5-3-2-4-10(12)9-16/h2-7,9H,8H2,1H3
InChIKeyUXDKZWFQZIJXDK-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'}

Analyze 2-[(5-chlorothiophen-2-yl)methyl-methylamino]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

1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
ethyl 2-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115545135
3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 102822767
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylaniline
CID 114054620
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 82786044
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde (CID 61442333) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde is CN(Cc1ccc(Cl)s1)c1ccccc1C=O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde?
The InChIKey is UXDKZWFQZIJXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-15(8-11-6-7-13(14)17-11)12-5-3-2-4-10(12)9-16/h2-7,9H,8H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]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 2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 61442333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).