4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde

C15H17NOS — CID 54946766

IUPAC4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
SMILESCC(C)N(Cc1cccs1)c1ccc(C=O)cc1
InChIInChI=1S/C15H17NOS/c1-12(2)16(10-15-4-3-9-18-15)14-7-5-13(11-17)6-8-14/h3-9,11-12H,10H2,1-2H3
InChIKeyZRRCJXLDUKPQHM-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.98
Rot. Bonds5

About 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde

4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde (PubChem CID 54946766) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
PubChem CID54946766
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
SMILESCC(C)N(Cc1cccs1)c1ccc(C=O)cc1
InChIInChI=1S/C15H17NOS/c1-12(2)16(10-15-4-3-9-18-15)14-7-5-13(11-17)6-8-14/h3-9,11-12H,10H2,1-2H3
InChIKeyZRRCJXLDUKPQHM-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[propan-2-yl(thiophen-2-ylmethyl)amino]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

4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 61451157
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 114055506
4-tert-butyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512891
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
1-N-methyl-5-nitro-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80780148
4-[ethyl(thiophen-2-ylmethyl)amino]-3-nitrobenzaldehyde
CID 60658726
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
CID 81146289

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde?
The IUPAC name of 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde (CID 54946766) is 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde.
What is the SMILES notation for 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde?
The canonical SMILES for 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde is CC(C)N(Cc1cccs1)c1ccc(C=O)cc1.
What is the InChIKey of 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde?
The InChIKey is ZRRCJXLDUKPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12(2)16(10-15-4-3-9-18-15)14-7-5-13(11-17)6-8-14/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde?
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde has a molecular weight of 259.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde is sourced from PubChem (CID 54946766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).