1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol

C15H19FN2OS — CID 83125812

IUPAC1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCC(c1cccs1)N(C)CCC(O)c1ccc(F)cn1
InChIInChI=1S/C15H19FN2OS/c1-11(15-4-3-9-20-15)18(2)8-7-14(19)13-6-5-12(16)10-17-13/h3-6,9-11,14,19H,7-8H2,1-2H3
InChIKeyLXCXUAHNKGKVPO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.40
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol (PubChem CID 83125812) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
PubChem CID83125812
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCC(c1cccs1)N(C)CCC(O)c1ccc(F)cn1
InChIInChI=1S/C15H19FN2OS/c1-11(15-4-3-9-20-15)18(2)8-7-14(19)13-6-5-12(16)10-17-13/h3-6,9-11,14,19H,7-8H2,1-2H3
InChIKeyLXCXUAHNKGKVPO-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 49795528
CID 49795528
CID 3056387
CID 3056387
CID 49789229
CID 49789229
CID 71855561
CID 71855561
CID 71855576
CID 71855576
CID 71921494
CID 71921494
CID 53193318
CID 53193318
CID 53193320
CID 53193320
CID 53193327
CID 53193327

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol (CID 83125812) is 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol is CC(c1cccs1)N(C)CCC(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
The InChIKey is LXCXUAHNKGKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-11(15-4-3-9-20-15)18(2)8-7-14(19)13-6-5-12(16)10-17-13/h3-6,9-11,14,19H,7-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 83125812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).