4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde

C15H17NOS — CID 62135933

IUPAC4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
SMILESCCN(Cc1cccs1)c1ccc(C=O)c(C)c1
InChIInChI=1S/C15H17NOS/c1-3-16(10-15-5-4-8-18-15)14-7-6-13(11-17)12(2)9-14/h4-9,11H,3,10H2,1-2H3
InChIKeyOIODTRZJKMJQKV-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.90
Rot. Bonds5

About 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde

4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde (PubChem CID 62135933) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
PubChem CID62135933
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
SMILESCCN(Cc1cccs1)c1ccc(C=O)c(C)c1
InChIInChI=1S/C15H17NOS/c1-3-16(10-15-5-4-8-18-15)14-7-6-13(11-17)12(2)9-14/h4-9,11H,3,10H2,1-2H3
InChIKeyOIODTRZJKMJQKV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
CID 81281827
4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
CID 62134065
1,3-benzothiazole;4-[ethyl(2-sulfanylethyl)amino]-2-methylbenzaldehyde
CID 88695216
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
4-(N-ethylanilino)-2-methylbenzaldehyde
CID 62135921
4-[ethyl(thiophen-2-ylmethyl)amino]-3-nitrobenzaldehyde
CID 60658726
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde (CID 62135933) is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde is CCN(Cc1cccs1)c1ccc(C=O)c(C)c1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde?
The InChIKey is OIODTRZJKMJQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-3-16(10-15-5-4-8-18-15)14-7-6-13(11-17)12(2)9-14/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde?
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde has a molecular weight of 259.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde is sourced from PubChem (CID 62135933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).