2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

C12H17NO3 — CID 81482112

IUPAC2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(OC)ccc2C1NOC
InChIInChI=1S/C12H17NO3/c1-4-10-12(13-15-3)9-6-5-8(14-2)7-11(9)16-10/h5-7,10,12-13H,4H2,1-3H3
InChIKeyWYMHBZCHHIAXSX-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.06
Rot. Bonds4

About 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81482112) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81482112
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(OC)ccc2C1NOC
InChIInChI=1S/C12H17NO3/c1-4-10-12(13-15-3)9-6-5-8(14-2)7-11(9)16-10/h5-7,10,12-13H,4H2,1-3H3
InChIKeyWYMHBZCHHIAXSX-UHFFFAOYSA-N
XLogP2.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine (CID 81482112) is 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2cc(OC)ccc2C1NOC.
What is the InChIKey of 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is WYMHBZCHHIAXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-10-12(13-15-3)9-6-5-8(14-2)7-11(9)16-10/h5-7,10,12-13H,4H2,1-3H3.
What are the key properties of 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 223.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81482112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).