5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine

C21H22FN3O2 — CID 68728894

IUPAC5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cc(CNc2ccc(Oc3cccc(N(C)C)c3)cn2)ccc1F
InChIInChI=1S/C21H22FN3O2/c1-25(2)16-5-4-6-17(12-16)27-18-8-10-21(24-14-18)23-13-15-7-9-19(22)20(11-15)26-3/h4-12,14H,13H2,1-3H3,(H,23,24)
InChIKeyIEMWNOGVUHWQOJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.70
Rot. Bonds7

About 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine

5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 68728894) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID68728894
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cc(CNc2ccc(Oc3cccc(N(C)C)c3)cn2)ccc1F
InChIInChI=1S/C21H22FN3O2/c1-25(2)16-5-4-6-17(12-16)27-18-8-10-21(24-14-18)23-13-15-7-9-19(22)20(11-15)26-3/h4-12,14H,13H2,1-3H3,(H,23,24)
InChIKeyIEMWNOGVUHWQOJ-UHFFFAOYSA-N
XLogP4.70
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine (CID 68728894) is 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine is COc1cc(CNc2ccc(Oc3cccc(N(C)C)c3)cn2)ccc1F.
What is the InChIKey of 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is IEMWNOGVUHWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-25(2)16-5-4-6-17(12-16)27-18-8-10-21(24-14-18)23-13-15-7-9-19(22)20(11-15)26-3/h4-12,14H,13H2,1-3H3,(H,23,24).
What are the key properties of 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenoxy]-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 68728894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).