2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine

C13H14FNOS — CID 81122039

IUPAC2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2ccccc2F)c1
InChIInChI=1S/C13H14FNOS/c1-16-10-7-13(17-8-10)12(15)6-9-4-2-3-5-11(9)14/h2-5,7-8,12H,6,15H2,1H3
InChIKeyJYHUTFYHLQFNCA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine

2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 81122039) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID81122039
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2ccccc2F)c1
InChIInChI=1S/C13H14FNOS/c1-16-10-7-13(17-8-10)12(15)6-9-4-2-3-5-11(9)14/h2-5,7-8,12H,6,15H2,1H3
InChIKeyJYHUTFYHLQFNCA-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
[(2,6-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105308168
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine (CID 81122039) is 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine is COc1csc(C(N)Cc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is JYHUTFYHLQFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-16-10-7-13(17-8-10)12(15)6-9-4-2-3-5-11(9)14/h2-5,7-8,12H,6,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 81122039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).