(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine

C9H10INO — CID 131165587

IUPAC(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1c(I)ccc2c1[C@@H](N)CO2
InChIInChI=1S/C9H10INO/c1-5-6(10)2-3-8-9(5)7(11)4-12-8/h2-3,7H,4,11H2,1H3/t7-/m0/s1
InChIKeyCFOWULSPUQBKQY-ZETCQYMHSA-N
MW275.09 g/mol
LogP1.99
Rot. Bonds

About (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine

(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 131165587) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID131165587
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1c(I)ccc2c1[C@@H](N)CO2
InChIInChI=1S/C9H10INO/c1-5-6(10)2-3-8-9(5)7(11)4-12-8/h2-3,7H,4,11H2,1H3/t7-/m0/s1
InChIKeyCFOWULSPUQBKQY-ZETCQYMHSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130722439
2,3,7,8-tetrahydrofuro[2,3-e][1]benzofuran-8-amine
CID 130054222
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 71742120
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 130707445
6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130054134
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130673906
(3S)-4-bromo-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130741516
(3S)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130615232
(3S)-3-amino-4-iodo-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 131123038

Frequently Asked Questions

What is the IUPAC name of (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 131165587) is (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine is Cc1c(I)ccc2c1[C@@H](N)CO2.
What is the InChIKey of (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CFOWULSPUQBKQY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10INO/c1-5-6(10)2-3-8-9(5)7(11)4-12-8/h2-3,7H,4,11H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 275.09 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 131165587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).