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

C14H15FN2O — CID 112582913

IUPAC3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol
SMILESCCC(Nc1cccc(O)c1)c1ccc(F)cn1
InChIInChI=1S/C14H15FN2O/c1-2-13(14-7-6-10(15)9-16-14)17-11-4-3-5-12(18)8-11/h3-9,13,17-18H,2H2,1H3
InChIKeyXEKFKRDQXBDBGJ-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.49
Rot. Bonds4

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

3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol (PubChem CID 112582913) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol
PubChem CID112582913
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol
SMILESCCC(Nc1cccc(O)c1)c1ccc(F)cn1
InChIInChI=1S/C14H15FN2O/c1-2-13(14-7-6-10(15)9-16-14)17-11-4-3-5-12(18)8-11/h3-9,13,17-18H,2H2,1H3
InChIKeyXEKFKRDQXBDBGJ-UHFFFAOYSA-N
XLogP3.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol (CID 112582913) is 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol is CCC(Nc1cccc(O)c1)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol?
The InChIKey is XEKFKRDQXBDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-13(14-7-6-10(15)9-16-14)17-11-4-3-5-12(18)8-11/h3-9,13,17-18H,2H2,1H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol?
3-[1-(5-fluoro-2-pyridinyl)propylamino]phenol has a molecular weight of 246.29 g/mol, XLogP of 3.49, 4 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]phenol is sourced from PubChem (CID 112582913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).