2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde

C15H17NOS — CID 144576316

IUPAC2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(CN(C)C)c2)s1
InChIInChI=1S/C15H17NOS/c1-11-4-7-15(18-11)12-5-6-13(10-17)14(8-12)9-16(2)3/h4-8,10H,9H2,1-3H3
InChIKeyGRYDTXGGCFVZFP-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.60
Rot. Bonds4

About 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde

2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde (PubChem CID 144576316) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde
PubChem CID144576316
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(CN(C)C)c2)s1
InChIInChI=1S/C15H17NOS/c1-11-4-7-15(18-11)12-5-6-13(10-17)14(8-12)9-16(2)3/h4-8,10H,9H2,1-3H3
InChIKeyGRYDTXGGCFVZFP-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde?
The IUPAC name of 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde (CID 144576316) is 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde is Cc1ccc(-c2ccc(C=O)c(CN(C)C)c2)s1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde?
The InChIKey is GRYDTXGGCFVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-4-7-15(18-11)12-5-6-13(10-17)14(8-12)9-16(2)3/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde?
2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde has a molecular weight of 259.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde is sourced from PubChem (CID 144576316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).