2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine

C13H15FN2S — CID 105136122

IUPAC2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cncc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-2-11-3-4-12(17-11)6-13(15)9-5-10(14)8-16-7-9/h3-5,7-8,13H,2,6,15H2,1H3
InChIKeyFGEOJPVMIWATCS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.09
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 105136122) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID105136122
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cncc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-2-11-3-4-12(17-11)6-13(15)9-5-10(14)8-16-7-9/h3-5,7-8,13H,2,6,15H2,1H3
InChIKeyFGEOJPVMIWATCS-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
2-(5-ethylthiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716426
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389
2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115842503
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 65136425
1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842605
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115842561
(5-fluoro-3-pyridinyl)-(5-methylfuran-2-yl)methanol
CID 63894041
2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115842607

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine (CID 105136122) is 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine is CCc1ccc(CC(N)c2cncc(F)c2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is FGEOJPVMIWATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-11-3-4-12(17-11)6-13(15)9-5-10(14)8-16-7-9/h3-5,7-8,13H,2,6,15H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 105136122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).