6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C10H11Cl2NO2 — CID 81481927

IUPAC6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2ccc(Cl)c(Cl)c2OC1C
InChIInChI=1S/C10H11Cl2NO2/c1-5-9(13-14-2)6-3-4-7(11)8(12)10(6)15-5/h3-5,9,13H,1-2H3
InChIKeyKNNSIWHXTIVCQT-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.97
Rot. Bonds2

About 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81481927) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81481927
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2ccc(Cl)c(Cl)c2OC1C
InChIInChI=1S/C10H11Cl2NO2/c1-5-9(13-14-2)6-3-4-7(11)8(12)10(6)15-5/h3-5,9,13H,1-2H3
InChIKeyKNNSIWHXTIVCQT-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,7-dichloro-N-methoxy-2-methyl-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 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 81481927) is 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CONC1c2ccc(Cl)c(Cl)c2OC1C.
What is the InChIKey of 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KNNSIWHXTIVCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-5-9(13-14-2)6-3-4-7(11)8(12)10(6)15-5/h3-5,9,13H,1-2H3.
What are the key properties of 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 248.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81481927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).