5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine

C14H12ClF3N2O — CID 62886700

IUPAC5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12ClF3N2O/c1-19-13-6-5-11(15)12(20-13)8-21-10-4-2-3-9(7-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyCLEALSGTGZBOJV-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.37
Rot. Bonds4

About 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine

5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine (PubChem CID 62886700) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
PubChem CID62886700
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12ClF3N2O/c1-19-13-6-5-11(15)12(20-13)8-21-10-4-2-3-9(7-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyCLEALSGTGZBOJV-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine (CID 62886700) is 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine is CNc1ccc(Cl)c(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine?
The InChIKey is CLEALSGTGZBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-19-13-6-5-11(15)12(20-13)8-21-10-4-2-3-9(7-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine?
5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine has a molecular weight of 316.71 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine is sourced from PubChem (CID 62886700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).