1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine

C12H13FN2OS — CID 105391405

IUPAC1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(OCc2cccs2)c1F
InChIInChI=1S/C12H13FN2OS/c1-14-7-9-4-5-15-12(11(9)13)16-8-10-3-2-6-17-10/h2-6,14H,7-8H2,1H3
InChIKeyIYTGBIKUNIRNGN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.58
Rot. Bonds5

About 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105391405) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID105391405
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(OCc2cccs2)c1F
InChIInChI=1S/C12H13FN2OS/c1-14-7-9-4-5-15-12(11(9)13)16-8-10-3-2-6-17-10/h2-6,14H,7-8H2,1H3
InChIKeyIYTGBIKUNIRNGN-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391402
[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methanol
CID 105383359
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391410
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391016
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
N-methyl-1-[2-(thiophen-2-ylmethoxy)-3-pyridinyl]ethanamine
CID 114056691
N-methyl-1-[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150645
N-methyl-1-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 66465223

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine (CID 105391405) is 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(OCc2cccs2)c1F.
What is the InChIKey of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is IYTGBIKUNIRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-14-7-9-4-5-15-12(11(9)13)16-8-10-3-2-6-17-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 252.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105391405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).