1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

C16H19FN2O — CID 115940781

IUPAC1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCOc1ccccc1C(N)(CC)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2O/c1-3-16(18,15-10-9-12(17)11-19-15)13-7-5-6-8-14(13)20-4-2/h5-11H,3-4,18H2,1-2H3
InChIKeyYFRCAFULVFFTEU-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 115940781) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID115940781
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCOc1ccccc1C(N)(CC)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2O/c1-3-16(18,15-10-9-12(17)11-19-15)13-7-5-6-8-14(13)20-4-2/h5-11H,3-4,18H2,1-2H3
InChIKeyYFRCAFULVFFTEU-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 115940781) is 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCOc1ccccc1C(N)(CC)c1ccc(F)cn1.
What is the InChIKey of 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is YFRCAFULVFFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-16(18,15-10-9-12(17)11-19-15)13-7-5-6-8-14(13)20-4-2/h5-11H,3-4,18H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115940781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).