N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine

C11H17FN2S — CID 115886385

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2S/c1-8(7-15-3)14-9(2)11-5-4-10(12)6-13-11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyWDGGLCNOVQIENW-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.62
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115886385) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID115886385
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2S/c1-8(7-15-3)14-9(2)11-5-4-10(12)6-13-11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyWDGGLCNOVQIENW-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
CID 104860347
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83119407
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83117431
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281911
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine (CID 115886385) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NC(C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is WDGGLCNOVQIENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8(7-15-3)14-9(2)11-5-4-10(12)6-13-11/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115886385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).