1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine

C12H13FN2S — CID 83126596

IUPAC1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(F)cn2)s1
InChIInChI=1S/C12H13FN2S/c1-8-3-6-11(16-8)12(2,14)10-5-4-9(13)7-15-10/h3-7H,14H2,1-2H3
InChIKeyRAKHPJYRTYZNNB-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.81
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine

1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 83126596) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID83126596
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(F)cn2)s1
InChIInChI=1S/C12H13FN2S/c1-8-3-6-11(16-8)12(2,14)10-5-4-9(13)7-15-10/h3-7H,14H2,1-2H3
InChIKeyRAKHPJYRTYZNNB-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine (CID 83126596) is 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)(N)c2ccc(F)cn2)s1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is RAKHPJYRTYZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-3-6-11(16-8)12(2,14)10-5-4-9(13)7-15-10/h3-7H,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine?
1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 236.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 83126596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).