4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine

C12H12FNS — CID 82472828

IUPAC4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2cc(N)sc2C)ccc1F
InChIInChI=1S/C12H12FNS/c1-7-5-9(3-4-11(7)13)10-6-12(14)15-8(10)2/h3-6H,14H2,1-2H3
InChIKeyJYOQSYGDHLSYSC-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.75
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine

4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine (PubChem CID 82472828) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine
PubChem CID82472828
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2cc(N)sc2C)ccc1F
InChIInChI=1S/C12H12FNS/c1-7-5-9(3-4-11(7)13)10-6-12(14)15-8(10)2/h3-6H,14H2,1-2H3
InChIKeyJYOQSYGDHLSYSC-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine
CID 82366217
5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine
CID 82379613
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine
CID 168960336
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 60929614
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
2-amino-4-(4-fluoro-3-methylphenyl)benzenethiol
CID 89189696
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 82045060
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine (CID 82472828) is 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine is Cc1cc(-c2cc(N)sc2C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine?
The InChIKey is JYOQSYGDHLSYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-7-5-9(3-4-11(7)13)10-6-12(14)15-8(10)2/h3-6H,14H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine?
4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine has a molecular weight of 221.30 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine is sourced from PubChem (CID 82472828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).