6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine

C10H12INO2 — CID 130054134

IUPAC6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cc(I)c2c(c1)OCC2N
InChIInChI=1S/C10H12INO2/c1-2-13-6-3-7(11)10-8(12)5-14-9(10)4-6/h3-4,8H,2,5,12H2,1H3
InChIKeyUZFLUZXFMONOEJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.08
Rot. Bonds2

About 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine

6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130054134) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130054134
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cc(I)c2c(c1)OCC2N
InChIInChI=1S/C10H12INO2/c1-2-13-6-3-7(11)10-8(12)5-14-9(10)4-6/h3-4,8H,2,5,12H2,1H3
InChIKeyUZFLUZXFMONOEJ-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130612649
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417
(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130676187
(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
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 130778504
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 130053828
(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130722439

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine (CID 130054134) is 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine is CCOc1cc(I)c2c(c1)OCC2N.
What is the InChIKey of 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is UZFLUZXFMONOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-2-13-6-3-7(11)10-8(12)5-14-9(10)4-6/h3-4,8H,2,5,12H2,1H3.
What are the key properties of 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine?
6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 305.12 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130054134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).