2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine

C12H14N2OS — CID 44615827

IUPAC2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(OCCNCc2cccs2)nc1
InChIInChI=1S/C12H14N2OS/c1-2-6-14-12(5-1)15-8-7-13-10-11-4-3-9-16-11/h1-6,9,13H,7-8,10H2
InChIKeyQDVXDBSTYFTXTL-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.31
Rot. Bonds6

About 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine

2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 44615827) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID44615827
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(OCCNCc2cccs2)nc1
InChIInChI=1S/C12H14N2OS/c1-2-6-14-12(5-1)15-8-7-13-10-11-4-3-9-16-11/h1-6,9,13H,7-8,10H2
InChIKeyQDVXDBSTYFTXTL-UHFFFAOYSA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine (CID 44615827) is 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine is c1ccc(OCCNCc2cccs2)nc1.
What is the InChIKey of 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is QDVXDBSTYFTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-6-14-12(5-1)15-8-7-13-10-11-4-3-9-16-11/h1-6,9,13H,7-8,10H2.
What are the key properties of 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine?
2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxy-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 44615827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).