1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine

C13H14FNOS — CID 82810883

IUPAC1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc(OC)c2F)cs1
InChIInChI=1S/C13H14FNOS/c1-15-7-10-6-9(8-17-10)11-4-3-5-12(16-2)13(11)14/h3-6,8,15H,7H2,1-2H3
InChIKeyRSWDXIZDKAKIRU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds4

About 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine

1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 82810883) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID82810883
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc(OC)c2F)cs1
InChIInChI=1S/C13H14FNOS/c1-15-7-10-6-9(8-17-10)11-4-3-5-12(16-2)13(11)14/h3-6,8,15H,7H2,1-2H3
InChIKeyRSWDXIZDKAKIRU-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine (CID 82810883) is 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2cccc(OC)c2F)cs1.
What is the InChIKey of 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is RSWDXIZDKAKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-15-7-10-6-9(8-17-10)11-4-3-5-12(16-2)13(11)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).