2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine

C14H18N2OS — CID 105014765

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(OC)cs2)nc1
InChIInChI=1S/C14H18N2OS/c1-3-10-4-5-11(16-8-10)6-13(15)14-7-12(17-2)9-18-14/h4-5,7-9,13H,3,6,15H2,1-2H3
InChIKeyHYSHMSBNEWUPCZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.96
Rot. Bonds5

About 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine

2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 105014765) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID105014765
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(OC)cs2)nc1
InChIInChI=1S/C14H18N2OS/c1-3-10-4-5-11(16-8-10)6-13(15)14-7-12(17-2)9-18-14/h4-5,7-9,13H,3,6,15H2,1-2H3
InChIKeyHYSHMSBNEWUPCZ-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine (CID 105014765) is 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine is CCc1ccc(CC(N)c2cc(OC)cs2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is HYSHMSBNEWUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-10-4-5-11(16-8-10)6-13(15)14-7-12(17-2)9-18-14/h4-5,7-9,13H,3,6,15H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine?
2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 105014765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).