6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine

C15H16N2O — CID 107293891

IUPAC6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine
SMILESCC1(C)COc2ccc(-c3cccc(N)n3)cc21
InChIInChI=1S/C15H16N2O/c1-15(2)9-18-13-7-6-10(8-11(13)15)12-4-3-5-14(16)17-12/h3-8H,9H2,1-2H3,(H2,16,17)
InChIKeySXGXSOVFACYHGE-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.00
Rot. Bonds1

About 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine

6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine (PubChem CID 107293891) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine
PubChem CID107293891
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine
SMILESCC1(C)COc2ccc(-c3cccc(N)n3)cc21
InChIInChI=1S/C15H16N2O/c1-15(2)9-18-13-7-6-10(8-11(13)15)12-4-3-5-14(16)17-12/h3-8H,9H2,1-2H3,(H2,16,17)
InChIKeySXGXSOVFACYHGE-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine?
The IUPAC name of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine (CID 107293891) is 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine.
What is the SMILES notation for 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine?
The canonical SMILES for 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine is CC1(C)COc2ccc(-c3cccc(N)n3)cc21.
What is the InChIKey of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine?
The InChIKey is SXGXSOVFACYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(2)9-18-13-7-6-10(8-11(13)15)12-4-3-5-14(16)17-12/h3-8H,9H2,1-2H3,(H2,16,17).
What are the key properties of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine?
6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine is sourced from PubChem (CID 107293891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).