N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine

C15H23FN2O — CID 79712789

IUPACN-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O/c1-2-7-17-15(10-12-5-8-19-9-6-12)14-4-3-13(16)11-18-14/h3-4,11-12,15,17H,2,5-10H2,1H3
InChIKeyYYXAEMBNMZSBCJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine

N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 79712789) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID79712789
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O/c1-2-7-17-15(10-12-5-8-19-9-6-12)14-4-3-13(16)11-18-14/h3-4,11-12,15,17H,2,5-10H2,1H3
InChIKeyYYXAEMBNMZSBCJ-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine (CID 79712789) is N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCOCC1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is YYXAEMBNMZSBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-7-17-15(10-12-5-8-19-9-6-12)14-4-3-13(16)11-18-14/h3-4,11-12,15,17H,2,5-10H2,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79712789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).