1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine

C14H15FN2O — CID 83124560

IUPAC1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(F)cn2)cc1
InChIInChI=1S/C14H15FN2O/c1-14(16,13-8-5-11(15)9-17-13)10-3-6-12(18-2)7-4-10/h3-9H,16H2,1-2H3
InChIKeyQFBTZYLNXOVQQI-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.45
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine

1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 83124560) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID83124560
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(F)cn2)cc1
InChIInChI=1S/C14H15FN2O/c1-14(16,13-8-5-11(15)9-17-13)10-3-6-12(18-2)7-4-10/h3-9H,16H2,1-2H3
InChIKeyQFBTZYLNXOVQQI-UHFFFAOYSA-N
XLogP2.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine (CID 83124560) is 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)(N)c2ccc(F)cn2)cc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is QFBTZYLNXOVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-14(16,13-8-5-11(15)9-17-13)10-3-6-12(18-2)7-4-10/h3-9H,16H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine?
1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 246.29 g/mol, XLogP of 2.45, 3 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)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 83124560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).