2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine

C16H19N3O2 — CID 62233906

IUPAC2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCC2Cc3ccccc3O2)ccc1N
InChIInChI=1S/C16H19N3O2/c1-2-20-16-13(17)7-8-15(19-16)18-10-12-9-11-5-3-4-6-14(11)21-12/h3-8,12H,2,9-10,17H2,1H3,(H,18,19)
InChIKeyYYGNSCCXHQGINL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds5

About 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine (PubChem CID 62233906) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
PubChem CID62233906
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCC2Cc3ccccc3O2)ccc1N
InChIInChI=1S/C16H19N3O2/c1-2-20-16-13(17)7-8-15(19-16)18-10-12-9-11-5-3-4-6-14(11)21-12/h3-8,12H,2,9-10,17H2,1H3,(H,18,19)
InChIKeyYYGNSCCXHQGINL-UHFFFAOYSA-N
XLogP2.48
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine (CID 62233906) is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine is CCOc1nc(NCC2Cc3ccccc3O2)ccc1N.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The InChIKey is YYGNSCCXHQGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-20-16-13(17)7-8-15(19-16)18-10-12-9-11-5-3-4-6-14(11)21-12/h3-8,12H,2,9-10,17H2,1H3,(H,18,19).
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine?
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine has a molecular weight of 285.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 62233906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).