1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine

C14H21FN2O — CID 112583036

IUPAC1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCC(NCCC1CCCO1)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-2-13(14-6-5-11(15)10-17-14)16-8-7-12-4-3-9-18-12/h5-6,10,12-13,16H,2-4,7-9H2,1H3
InChIKeyJUHJFFJGLRJJTN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.83
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 112583036) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID112583036
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCC(NCCC1CCCO1)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-2-13(14-6-5-11(15)10-17-14)16-8-7-12-4-3-9-18-12/h5-6,10,12-13,16H,2-4,7-9H2,1H3
InChIKeyJUHJFFJGLRJJTN-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887
N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939352
N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938465
1-(5-fluoro-2-pyridinyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 112583142
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine (CID 112583036) is 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine is CCC(NCCC1CCCO1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is JUHJFFJGLRJJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-13(14-6-5-11(15)10-17-14)16-8-7-12-4-3-9-18-12/h5-6,10,12-13,16H,2-4,7-9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 112583036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).