3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde

C14H13F2NOS — CID 79476243

IUPAC3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde
SMILESCN(CCc1cccs1)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C14H13F2NOS/c1-17(5-4-11-3-2-6-19-11)14-12(15)7-10(9-18)8-13(14)16/h2-3,6-9H,4-5H2,1H3
InChIKeyJVCLBTZOLOPYQU-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.52
Rot. Bonds5

About 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde

3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde (PubChem CID 79476243) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde
PubChem CID79476243
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde
SMILESCN(CCc1cccs1)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C14H13F2NOS/c1-17(5-4-11-3-2-6-19-11)14-12(15)7-10(9-18)8-13(14)16/h2-3,6-9H,4-5H2,1H3
InChIKeyJVCLBTZOLOPYQU-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.52
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

3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 113319885
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374
4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
CID 80731639
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
methyl 2-amino-4-fluoro-5-[methyl(2-thiophen-2-ylethyl)amino]benzoate
CID 79488975
3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde
CID 63052056

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde?
The IUPAC name of 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde (CID 79476243) is 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde is CN(CCc1cccs1)c1c(F)cc(C=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde?
The InChIKey is JVCLBTZOLOPYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NOS/c1-17(5-4-11-3-2-6-19-11)14-12(15)7-10(9-18)8-13(14)16/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde?
3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde has a molecular weight of 281.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde is sourced from PubChem (CID 79476243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).