5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine

C13H14FNS — CID 82366217

IUPAC5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine
SMILESCCc1cc(-c2ccc(F)c(C)c2)c(N)s1
InChIInChI=1S/C13H14FNS/c1-3-10-7-11(13(15)16-10)9-4-5-12(14)8(2)6-9/h4-7H,3,15H2,1-2H3
InChIKeyIRQPZWAWFPDPDC-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.01
Rot. Bonds2

About 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine

5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine (PubChem CID 82366217) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine
PubChem CID82366217
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine
SMILESCCc1cc(-c2ccc(F)c(C)c2)c(N)s1
InChIInChI=1S/C13H14FNS/c1-3-10-7-11(13(15)16-10)9-4-5-12(14)8(2)6-9/h4-7H,3,15H2,1-2H3
InChIKeyIRQPZWAWFPDPDC-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine
CID 82472828
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 63615167
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
3-(4-ethylphenyl)-5-methylthiophen-2-amine
CID 82366011
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63615796
N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 55119271
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine?
The IUPAC name of 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine (CID 82366217) is 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine is CCc1cc(-c2ccc(F)c(C)c2)c(N)s1.
What is the InChIKey of 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine?
The InChIKey is IRQPZWAWFPDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-3-10-7-11(13(15)16-10)9-4-5-12(14)8(2)6-9/h4-7H,3,15H2,1-2H3.
What are the key properties of 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine?
5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine has a molecular weight of 235.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine is sourced from PubChem (CID 82366217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).