2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine

C23H24N2O2 — CID 16749218

IUPAC2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine
SMILESCC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)17-6-4-16(5-7-17)20-14-19(10-11-24-20)25-18-8-9-21-22(15-18)27-13-12-26-21/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)
InChIKeyDNYGDIASPUKZHD-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.56
Rot. Bonds3

About 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine

2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine (PubChem CID 16749218) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine
PubChem CID16749218
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine
SMILESCC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)17-6-4-16(5-7-17)20-14-19(10-11-24-20)25-18-8-9-21-22(15-18)27-13-12-26-21/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)
InChIKeyDNYGDIASPUKZHD-UHFFFAOYSA-N
XLogP5.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine (CID 16749218) is 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine is CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine?
The InChIKey is DNYGDIASPUKZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)17-6-4-16(5-7-17)20-14-19(10-11-24-20)25-18-8-9-21-22(15-18)27-13-12-26-21/h4-11,14-15H,12-13H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine?
2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-amine is sourced from PubChem (CID 16749218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).