3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol

C12H19FN2O — CID 112583184

IUPAC3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
SMILESCCC(NCC(C)CO)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-3-11(14-6-9(2)8-16)12-5-4-10(13)7-15-12/h4-5,7,9,11,14,16H,3,6,8H2,1-2H3
InChIKeyOYBHLIVGRMGUHS-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.89
Rot. Bonds6

About 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol

3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol (PubChem CID 112583184) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
PubChem CID112583184
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
SMILESCCC(NCC(C)CO)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-3-11(14-6-9(2)8-16)12-5-4-10(13)7-15-12/h4-5,7,9,11,14,16H,3,6,8H2,1-2H3
InChIKeyOYBHLIVGRMGUHS-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
CID 103948424
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol (CID 112583184) is 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol is CCC(NCC(C)CO)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol?
The InChIKey is OYBHLIVGRMGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-11(14-6-9(2)8-16)12-5-4-10(13)7-15-12/h4-5,7,9,11,14,16H,3,6,8H2,1-2H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol?
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 112583184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).