2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol

C14H17FN2OS — CID 103948424

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
SMILESCCC(NCC(O)c1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2OS/c1-2-12(13-4-3-11(15)7-16-13)17-8-14(18)10-5-6-19-9-10/h3-7,9,12,14,17-18H,2,8H2,1H3
InChIKeyMUMMNSMBSWUURW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.06
Rot. Bonds6

About 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol

2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol (PubChem CID 103948424) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
PubChem CID103948424
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
SMILESCCC(NCC(O)c1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2OS/c1-2-12(13-4-3-11(15)7-16-13)17-8-14(18)10-5-6-19-9-10/h3-7,9,12,14,17-18H,2,8H2,1H3
InChIKeyMUMMNSMBSWUURW-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
CID 79712572
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785307
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
[1-(5-fluoro-2-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105248476
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583232
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol (CID 103948424) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol is CCC(NCC(O)c1ccsc1)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol?
The InChIKey is MUMMNSMBSWUURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-12(13-4-3-11(15)7-16-13)17-8-14(18)10-5-6-19-9-10/h3-7,9,12,14,17-18H,2,8H2,1H3.
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol?
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol has a molecular weight of 280.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103948424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).