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

C16H21FN2S — CID 79712406

IUPACN-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
SMILESCCc1ccc(CC(NC(C)C)c2ccc(F)cn2)s1
InChIInChI=1S/C16H21FN2S/c1-4-13-6-7-14(20-13)9-16(19-11(2)3)15-8-5-12(17)10-18-15/h5-8,10-11,16,19H,4,9H2,1-3H3
InChIKeyQYTMKWVPDMRZEF-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.13
Rot. Bonds6

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

N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine (PubChem CID 79712406) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
PubChem CID79712406
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
SMILESCCc1ccc(CC(NC(C)C)c2ccc(F)cn2)s1
InChIInChI=1S/C16H21FN2S/c1-4-13-6-7-14(20-13)9-16(19-11(2)3)15-8-5-12(17)10-18-15/h5-8,10-11,16,19H,4,9H2,1-3H3
InChIKeyQYTMKWVPDMRZEF-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)-2-thiophen-2-ylethyl]propan-2-amine
CID 79712298
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
CID 115938750
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 79712401
1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
CID 79713467
[2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248249
N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
CID 79751590
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105136127
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
N-[1-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine (CID 79712406) is N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine is CCc1ccc(CC(NC(C)C)c2ccc(F)cn2)s1.
What is the InChIKey of N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
The InChIKey is QYTMKWVPDMRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-4-13-6-7-14(20-13)9-16(19-11(2)3)15-8-5-12(17)10-18-15/h5-8,10-11,16,19H,4,9H2,1-3H3.
What are the key properties of N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine is sourced from PubChem (CID 79712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).