N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine

C13H19FN2O — CID 79712706

IUPACN-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)C1CCOC1
InChIInChI=1S/C13H19FN2O/c1-2-6-15-13(10-5-7-17-9-10)12-4-3-11(14)8-16-12/h3-4,8,10,13,15H,2,5-7,9H2,1H3
InChIKeyZORKHGRPKCJBPG-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.30
Rot. Bonds5

About N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 79712706) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID79712706
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)C1CCOC1
InChIInChI=1S/C13H19FN2O/c1-2-6-15-13(10-5-7-17-9-10)12-4-3-11(14)8-16-12/h3-4,8,10,13,15H,2,5-7,9H2,1H3
InChIKeyZORKHGRPKCJBPG-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine (CID 79712706) is N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cn1)C1CCOC1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is ZORKHGRPKCJBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-6-15-13(10-5-7-17-9-10)12-4-3-11(14)8-16-12/h3-4,8,10,13,15H,2,5-7,9H2,1H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine has a molecular weight of 238.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79712706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).