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

C17H20N2O2 — CID 80739401

IUPAC3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H20N2O2/c1-2-20-15-9-13(18)8-14(10-15)19-11-16-7-12-5-3-4-6-17(12)21-16/h3-6,8-10,16,19H,2,7,11,18H2,1H3
InChIKeyXMUCVQFMNQCPQV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds5

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

3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine (PubChem CID 80739401) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine
PubChem CID80739401
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H20N2O2/c1-2-20-15-9-13(18)8-14(10-15)19-11-16-7-12-5-3-4-6-17(12)21-16/h3-6,8-10,16,19H,2,7,11,18H2,1H3
InChIKeyXMUCVQFMNQCPQV-UHFFFAOYSA-N
XLogP3.08
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine (CID 80739401) is 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine is CCOc1cc(N)cc(NCC2Cc3ccccc3O2)c1.
What is the InChIKey of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine?
The InChIKey is XMUCVQFMNQCPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-20-15-9-13(18)8-14(10-15)19-11-16-7-12-5-3-4-6-17(12)21-16/h3-6,8-10,16,19H,2,7,11,18H2,1H3.
What are the key properties of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine?
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine has a molecular weight of 284.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine is sourced from PubChem (CID 80739401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).