5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C14H13F3N2O — CID 126469831

IUPAC5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCOc1cccc(-c2ccc(NCC(F)(F)F)nc2)c1
InChIInChI=1S/C14H13F3N2O/c1-20-12-4-2-3-10(7-12)11-5-6-13(18-8-11)19-9-14(15,16)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYPDBTANGEJRCMU-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.73
Rot. Bonds4

About 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 126469831) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID126469831
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCOc1cccc(-c2ccc(NCC(F)(F)F)nc2)c1
InChIInChI=1S/C14H13F3N2O/c1-20-12-4-2-3-10(7-12)11-5-6-13(18-8-11)19-9-14(15,16)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYPDBTANGEJRCMU-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 126469831) is 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is COc1cccc(-c2ccc(NCC(F)(F)F)nc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is YPDBTANGEJRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-20-12-4-2-3-10(7-12)11-5-6-13(18-8-11)19-9-14(15,16)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 282.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 126469831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).