1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

C14H17FN2S — CID 112583232

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1sccc1C)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2S/c1-3-12(13-5-4-11(15)8-16-13)17-9-14-10(2)6-7-18-14/h4-8,12,17H,3,9H2,1-2H3
InChIKeyOAOGMXKOLUSIBV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 112583232) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID112583232
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1sccc1C)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2S/c1-3-12(13-5-4-11(15)8-16-13)17-9-14-10(2)6-7-18-14/h4-8,12,17H,3,9H2,1-2H3
InChIKeyOAOGMXKOLUSIBV-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115938783
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
1-(5-fluoro-2-pyridinyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 112583142
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 115938724
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 112583232) is 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is CCC(NCc1sccc1C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is OAOGMXKOLUSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-12(13-5-4-11(15)8-16-13)17-9-14-10(2)6-7-18-14/h4-8,12,17H,3,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 112583232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).