1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine

C14H18N2OS — CID 79169247

IUPAC1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2ccsc2)c(CC(C)N)n1
InChIInChI=1S/C14H18N2OS/c1-10(15)7-13-14(4-3-11(2)16-13)17-8-12-5-6-18-9-12/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyPHMKWTKFICUANB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.92
Rot. Bonds5

About 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine

1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine (PubChem CID 79169247) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
PubChem CID79169247
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2ccsc2)c(CC(C)N)n1
InChIInChI=1S/C14H18N2OS/c1-10(15)7-13-14(4-3-11(2)16-13)17-8-12-5-6-18-9-12/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyPHMKWTKFICUANB-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
CID 79168987
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 102940231
2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79158981
1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79164689
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine (CID 79169247) is 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine is Cc1ccc(OCc2ccsc2)c(CC(C)N)n1.
What is the InChIKey of 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is PHMKWTKFICUANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(15)7-13-14(4-3-11(2)16-13)17-8-12-5-6-18-9-12/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine?
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79169247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).