N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine

C20H15F3N2O2 — CID 11462898

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)14-3-1-13(2-4-14)17-11-16(7-8-24-17)25-15-5-6-18-19(12-15)27-10-9-26-18/h1-8,11-12H,9-10H2,(H,24,25)
InChIKeyHXVBXOGCECWFCB-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.28
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 11462898) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID11462898
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)14-3-1-13(2-4-14)17-11-16(7-8-24-17)25-15-5-6-18-19(12-15)27-10-9-26-18/h1-8,11-12H,9-10H2,(H,24,25)
InChIKeyHXVBXOGCECWFCB-UHFFFAOYSA-N
XLogP5.28
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine (CID 11462898) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine is FC(F)(F)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is HXVBXOGCECWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)14-3-1-13(2-4-14)17-11-16(7-8-24-17)25-15-5-6-18-19(12-15)27-10-9-26-18/h1-8,11-12H,9-10H2,(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 372.35 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 11462898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).