7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine

C9H10INO2 — CID 114287283

IUPAC7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1COc2c(I)cccc21
InChIInChI=1S/C9H10INO2/c1-12-11-8-5-13-9-6(8)3-2-4-7(9)10/h2-4,8,11H,5H2,1H3
InChIKeySLKKGXMLOIIKNW-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.88
Rot. Bonds2

About 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine

7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 114287283) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID114287283
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1COc2c(I)cccc21
InChIInChI=1S/C9H10INO2/c1-12-11-8-5-13-9-6(8)3-2-4-7(9)10/h2-4,8,11H,5H2,1H3
InChIKeySLKKGXMLOIIKNW-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-iodo-N-methoxy-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

Related Compounds

7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512732
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114287285
3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
CID 112546911
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
5-bromo-N-methoxy-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 115402549
7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512531
9-butan-2-yl-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81479748
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
CID 81480683
7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481829
5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 115492937

Frequently Asked Questions

What is the IUPAC name of 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 114287283) is 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is CONC1COc2c(I)cccc21.
What is the InChIKey of 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is SLKKGXMLOIIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-12-11-8-5-13-9-6(8)3-2-4-7(9)10/h2-4,8,11H,5H2,1H3.
What are the key properties of 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 291.09 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 114287283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).