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

C12H12FNOS — CID 82389001

IUPAC4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine
SMILESCOc1ccc(-c2cc(N)sc2C)cc1F
InChIInChI=1S/C12H12FNOS/c1-7-9(6-12(14)16-7)8-3-4-11(15-2)10(13)5-8/h3-6H,14H2,1-2H3
InChIKeyLBZYDDUONHUNRW-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.45
Rot. Bonds2

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

4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine (PubChem CID 82389001) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine
PubChem CID82389001
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine
SMILESCOc1ccc(-c2cc(N)sc2C)cc1F
InChIInChI=1S/C12H12FNOS/c1-7-9(6-12(14)16-7)8-3-4-11(15-2)10(13)5-8/h3-6H,14H2,1-2H3
InChIKeyLBZYDDUONHUNRW-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine (CID 82389001) is 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine is COc1ccc(-c2cc(N)sc2C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine?
The InChIKey is LBZYDDUONHUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-9(6-12(14)16-7)8-3-4-11(15-2)10(13)5-8/h3-6H,14H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine?
4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-5-methylthiophen-2-amine is sourced from PubChem (CID 82389001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).