1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol

C16H21FN2OS — CID 83111518

IUPAC1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(F)cn1)Cc1cccs1
InChIInChI=1S/C16H21FN2OS/c1-12(2)19(11-14-4-3-9-21-14)8-7-16(20)15-6-5-13(17)10-18-15/h3-6,9-10,12,16,20H,7-8,11H2,1-2H3
InChIKeyLBXWKMKILAJLGD-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.62
Rot. Bonds7

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

1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol (PubChem CID 83111518) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol
PubChem CID83111518
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(F)cn1)Cc1cccs1
InChIInChI=1S/C16H21FN2OS/c1-12(2)19(11-14-4-3-9-21-14)8-7-16(20)15-6-5-13(17)10-18-15/h3-6,9-10,12,16,20H,7-8,11H2,1-2H3
InChIKeyLBXWKMKILAJLGD-UHFFFAOYSA-N
XLogP3.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol (CID 83111518) is 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol is CC(C)N(CCC(O)c1ccc(F)cn1)Cc1cccs1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol?
The InChIKey is LBXWKMKILAJLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-12(2)19(11-14-4-3-9-21-14)8-7-16(20)15-6-5-13(17)10-18-15/h3-6,9-10,12,16,20H,7-8,11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 3.62, 7 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-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 83111518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).