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

C12H19FN2O — CID 112582914

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
SMILESCCC(CO)NC(CC)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-3-10(8-16)15-11(4-2)12-6-5-9(13)7-14-12/h5-7,10-11,15-16H,3-4,8H2,1-2H3
InChIKeyQAAKOGRXCHWSEW-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.03
Rot. Bonds6

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

2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol (PubChem CID 112582914) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
PubChem CID112582914
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
SMILESCCC(CO)NC(CC)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-3-10(8-16)15-11(4-2)12-6-5-9(13)7-14-12/h5-7,10-11,15-16H,3-4,8H2,1-2H3
InChIKeyQAAKOGRXCHWSEW-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol (CID 112582914) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol is CCC(CO)NC(CC)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
The InChIKey is QAAKOGRXCHWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-10(8-16)15-11(4-2)12-6-5-9(13)7-14-12/h5-7,10-11,15-16H,3-4,8H2,1-2H3.
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol is sourced from PubChem (CID 112582914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).