6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine

C9H12N2O2 — CID 55294789

IUPAC6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
SMILESCOc1cc2c(cc1N)C(N)CO2
InChIInChI=1S/C9H12N2O2/c1-12-9-3-8-5(2-6(9)10)7(11)4-13-8/h2-3,7H,4,10-11H2,1H3
InChIKeyXHBJCWJDTKSSDU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.67
Rot. Bonds1

About 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine

6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine (PubChem CID 55294789) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
PubChem CID55294789
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
SMILESCOc1cc2c(cc1N)C(N)CO2
InChIInChI=1S/C9H12N2O2/c1-12-9-3-8-5(2-6(9)10)7(11)4-13-8/h2-3,7H,4,10-11H2,1H3
InChIKeyXHBJCWJDTKSSDU-UHFFFAOYSA-N
XLogP0.67
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426
2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 55272031
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130676187
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096189
(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 131311230
(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 131146644
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine?
The IUPAC name of 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine (CID 55294789) is 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine?
The canonical SMILES for 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine is COc1cc2c(cc1N)C(N)CO2.
What is the InChIKey of 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine?
The InChIKey is XHBJCWJDTKSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-12-9-3-8-5(2-6(9)10)7(11)4-13-8/h2-3,7H,4,10-11H2,1H3.
What are the key properties of 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine?
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine has a molecular weight of 180.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine is sourced from PubChem (CID 55294789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).