5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine

C20H19FN2O — CID 11544312

IUPAC5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine
SMILESCOc1cccc(-c2cccc(CCc3nc(N)ccc3F)c2)c1
InChIInChI=1S/C20H19FN2O/c1-24-17-7-3-6-16(13-17)15-5-2-4-14(12-15)8-10-19-18(21)9-11-20(22)23-19/h2-7,9,11-13H,8,10H2,1H3,(H2,22,23)
InChIKeyIJYQTKWOUCYPMN-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.26
Rot. Bonds5

About 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine

5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine (PubChem CID 11544312) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine
PubChem CID11544312
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine
SMILESCOc1cccc(-c2cccc(CCc3nc(N)ccc3F)c2)c1
InChIInChI=1S/C20H19FN2O/c1-24-17-7-3-6-16(13-17)15-5-2-4-14(12-15)8-10-19-18(21)9-11-20(22)23-19/h2-7,9,11-13H,8,10H2,1H3,(H2,22,23)
InChIKeyIJYQTKWOUCYPMN-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine (CID 11544312) is 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine is COc1cccc(-c2cccc(CCc3nc(N)ccc3F)c2)c1.
What is the InChIKey of 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine?
The InChIKey is IJYQTKWOUCYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-24-17-7-3-6-16(13-17)15-5-2-4-14(12-15)8-10-19-18(21)9-11-20(22)23-19/h2-7,9,11-13H,8,10H2,1H3,(H2,22,23).
What are the key properties of 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine?
5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine has a molecular weight of 322.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 11544312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).