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

C23H24N2O2 — CID 16749541

IUPAC6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)17-9-7-16(8-10-17)19-5-4-6-22(25-19)24-18-11-12-20-21(15-18)27-14-13-26-20/h4-12,15H,13-14H2,1-3H3,(H,24,25)
InChIKeyBAFLKKRJUAFLJG-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.56
Rot. Bonds3

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

6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (PubChem CID 16749541) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
PubChem CID16749541
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)17-9-7-16(8-10-17)19-5-4-6-22(25-19)24-18-11-12-20-21(15-18)27-14-13-26-20/h4-12,15H,13-14H2,1-3H3,(H,24,25)
InChIKeyBAFLKKRJUAFLJG-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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Related Compounds

4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
CID 135609775
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 10406294
Pyrimidine derivative, 73
CID 10429408
4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 16749540
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine
CID 10473758
4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine
CID 16749326
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-3-amine
CID 16749217
(4-Ethoxy-phenyl)-(4-methyl-quinolin-2-yl)-amine
CID 747022
N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
2-[(3,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile
CID 712041
2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-3-pyridinecarbonitrile
CID 712051
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
CID 11177997

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (CID 16749541) is 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is CC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The InChIKey is BAFLKKRJUAFLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)17-9-7-16(8-10-17)19-5-4-6-22(25-19)24-18-11-12-20-21(15-18)27-14-13-26-20/h4-12,15H,13-14H2,1-3H3,(H,24,25).
What are the key properties of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-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 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is sourced from PubChem (CID 16749541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).