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

C14H17FN2S — CID 112583097

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)s1)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2S/c1-3-13(14-7-5-11(15)8-16-14)17-9-12-6-4-10(2)18-12/h4-8,13,17H,3,9H2,1-2H3
InChIKeyCCPPLTKOXGMBAY-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.83
Rot. Bonds5

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

1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 112583097) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID112583097
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)s1)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2S/c1-3-13(14-7-5-11(15)8-16-14)17-9-12-6-4-10(2)18-12/h4-8,13,17H,3,9H2,1-2H3
InChIKeyCCPPLTKOXGMBAY-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-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
CID 115938750
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583232
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103947737
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442
N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117448
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine
CID 166203914
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 112583097) is 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is CCC(NCc1ccc(C)s1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is CCPPLTKOXGMBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-13(14-7-5-11(15)8-16-14)17-9-12-6-4-10(2)18-12/h4-8,13,17H,3,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[(5-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-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 112583097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).