1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine

C13H16N2OS — CID 81122666

IUPAC1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine
SMILESCOc1csc(C(N)C(C)c2ccccn2)c1
InChIInChI=1S/C13H16N2OS/c1-9(11-5-3-4-6-15-11)13(14)12-7-10(16-2)8-17-12/h3-9,13H,14H2,1-2H3
InChIKeyRDDLIFCXCLERAK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine

1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 81122666) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine
PubChem CID81122666
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine
SMILESCOc1csc(C(N)C(C)c2ccccn2)c1
InChIInChI=1S/C13H16N2OS/c1-9(11-5-3-4-6-15-11)13(14)12-7-10(16-2)8-17-12/h3-9,13H,14H2,1-2H3
InChIKeyRDDLIFCXCLERAK-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446223
1-(3,5-dimethoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460720
1-(4-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446811
3-(4-methoxythiophen-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 79478763
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
1-(2-iodophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66448363
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706
2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine
CID 117241389
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine (CID 81122666) is 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine is COc1csc(C(N)C(C)c2ccccn2)c1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is RDDLIFCXCLERAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(11-5-3-4-6-15-11)13(14)12-7-10(16-2)8-17-12/h3-9,13H,14H2,1-2H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine?
1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 81122666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).