1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine

C14H15FN2O — CID 80640056

IUPAC1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H15FN2O/c1-10(16)8-11-2-7-14(17-9-11)18-13-5-3-12(15)4-6-13/h2-7,9-10H,8,16H2,1H3
InChIKeyCPRUKJPJUOTAQC-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.90
Rot. Bonds4

About 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine

1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine (PubChem CID 80640056) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
PubChem CID80640056
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H15FN2O/c1-10(16)8-11-2-7-14(17-9-11)18-13-5-3-12(15)4-6-13/h2-7,9-10H,8,16H2,1H3
InChIKeyCPRUKJPJUOTAQC-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine (CID 80640056) is 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine?
The InChIKey is CPRUKJPJUOTAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(16)8-11-2-7-14(17-9-11)18-13-5-3-12(15)4-6-13/h2-7,9-10H,8,16H2,1H3.
What are the key properties of 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine?
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine has a molecular weight of 246.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80640056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).