4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine

C14H15N3O — CID 113367866

IUPAC4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(NC2COc3ccccc32)ccn1
InChIInChI=1S/C14H15N3O/c1-15-14-8-10(6-7-16-14)17-12-9-18-13-5-3-2-4-11(12)13/h2-8,12H,9H2,1H3,(H2,15,16,17)
InChIKeyJBBNXSXPDXUZFE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.67
Rot. Bonds3

About 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine

4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine (PubChem CID 113367866) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
PubChem CID113367866
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(NC2COc3ccccc32)ccn1
InChIInChI=1S/C14H15N3O/c1-15-14-8-10(6-7-16-14)17-12-9-18-13-5-3-2-4-11(12)13/h2-8,12H,9H2,1H3,(H2,15,16,17)
InChIKeyJBBNXSXPDXUZFE-UHFFFAOYSA-N
XLogP2.67
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine (CID 113367866) is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine is CNc1cc(NC2COc3ccccc32)ccn1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is JBBNXSXPDXUZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-14-8-10(6-7-16-14)17-12-9-18-13-5-3-2-4-11(12)13/h2-8,12H,9H2,1H3,(H2,15,16,17).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine?
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 241.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 113367866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).