6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine

C20H25F3N2O3 — CID 21104809

IUPAC6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine
SMILESCCC(CC)Oc1cc(C)c(-c2ccc(OC)cc2OC(F)(F)F)nc1NC
InChIInChI=1S/C20H25F3N2O3/c1-6-13(7-2)27-17-10-12(3)18(25-19(17)24-4)15-9-8-14(26-5)11-16(15)28-20(21,22)23/h8-11,13H,6-7H2,1-5H3,(H,24,25)
InChIKeyCLFUEXKBBTVHJR-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.57
Rot. Bonds8

About 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine

6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine (PubChem CID 21104809) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine.

Molecular Properties

Compound Name6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine
PubChem CID21104809
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine
SMILESCCC(CC)Oc1cc(C)c(-c2ccc(OC)cc2OC(F)(F)F)nc1NC
InChIInChI=1S/C20H25F3N2O3/c1-6-13(7-2)27-17-10-12(3)18(25-19(17)24-4)15-9-8-14(26-5)11-16(15)28-20(21,22)23/h8-11,13H,6-7H2,1-5H3,(H,24,25)
InChIKeyCLFUEXKBBTVHJR-UHFFFAOYSA-N
XLogP5.57
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine?
The IUPAC name of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine (CID 21104809) is 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine.
What is the SMILES notation for 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine?
The canonical SMILES for 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine is CCC(CC)Oc1cc(C)c(-c2ccc(OC)cc2OC(F)(F)F)nc1NC.
What is the InChIKey of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine?
The InChIKey is CLFUEXKBBTVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-6-13(7-2)27-17-10-12(3)18(25-19(17)24-4)15-9-8-14(26-5)11-16(15)28-20(21,22)23/h8-11,13H,6-7H2,1-5H3,(H,24,25).
What are the key properties of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine?
6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine has a molecular weight of 398.43 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine is sourced from PubChem (CID 21104809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).