(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine

C9H10INO2 — CID 131002588

IUPAC(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1cc(I)c2c(c1)OC[C@@H]2N
InChIInChI=1S/C9H10INO2/c1-12-5-2-6(10)9-7(11)4-13-8(9)3-5/h2-3,7H,4,11H2,1H3/t7-/m0/s1
InChIKeyBZUNSVNKTBARBH-ZETCQYMHSA-N
MW291.09 g/mol
LogP1.69
Rot. Bonds1

About (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine

(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 131002588) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID131002588
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1cc(I)c2c(c1)OC[C@@H]2N
InChIInChI=1S/C9H10INO2/c1-12-5-2-6(10)9-7(11)4-13-8(9)3-5/h2-3,7H,4,11H2,1H3/t7-/m0/s1
InChIKeyBZUNSVNKTBARBH-ZETCQYMHSA-N
XLogP1.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-4-iodo-6-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

6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130054134
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130673906
(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 131165587
(3S)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130615232
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789

Frequently Asked Questions

What is the IUPAC name of (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 131002588) is (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine is COc1cc(I)c2c(c1)OC[C@@H]2N.
What is the InChIKey of (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BZUNSVNKTBARBH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10INO2/c1-12-5-2-6(10)9-7(11)4-13-8(9)3-5/h2-3,7H,4,11H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 291.09 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 131002588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).