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

C16H21FN2S — CID 115938750

IUPAC1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
SMILESCCC(NC(C)Cc1ccc(C)s1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN2S/c1-4-15(16-8-6-13(17)10-18-16)19-11(2)9-14-7-5-12(3)20-14/h5-8,10-11,15,19H,4,9H2,1-3H3
InChIKeyUNTWFVGATDUSOM-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.26
Rot. Bonds6

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

1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine (PubChem CID 115938750) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
PubChem CID115938750
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
SMILESCCC(NC(C)Cc1ccc(C)s1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN2S/c1-4-15(16-8-6-13(17)10-18-16)19-11(2)9-14-7-5-12(3)20-14/h5-8,10-11,15,19H,4,9H2,1-3H3
InChIKeyUNTWFVGATDUSOM-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.26
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-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 79712406
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
CID 110011129
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103947737
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine (CID 115938750) is 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine is CCC(NC(C)Cc1ccc(C)s1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine?
The InChIKey is UNTWFVGATDUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-4-15(16-8-6-13(17)10-18-16)19-11(2)9-14-7-5-12(3)20-14/h5-8,10-11,15,19H,4,9H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.26, 6 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-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine is sourced from PubChem (CID 115938750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).