(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine

C10H12INO2 — CID 130612649

IUPAC(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cc(I)c2c(c1)[C@@H](N)CO2
InChIInChI=1S/C10H12INO2/c1-2-13-6-3-7-9(12)5-14-10(7)8(11)4-6/h3-4,9H,2,5,12H2,1H3/t9-/m0/s1
InChIKeyJCTVCHNQLDSHCA-VIFPVBQESA-N
MW305.12 g/mol
LogP2.08
Rot. Bonds2

About (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine

(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130612649) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130612649
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cc(I)c2c(c1)[C@@H](N)CO2
InChIInChI=1S/C10H12INO2/c1-2-13-6-3-7-9(12)5-14-10(7)8(11)4-6/h3-4,9H,2,5,12H2,1H3/t9-/m0/s1
InChIKeyJCTVCHNQLDSHCA-VIFPVBQESA-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

6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130054134
(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130739663
(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130676187
(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
CID 131221796
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 131173128
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 130992672
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417759
(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131075554
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533

Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine (CID 130612649) is (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine is CCOc1cc(I)c2c(c1)[C@@H](N)CO2.
What is the InChIKey of (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JCTVCHNQLDSHCA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12INO2/c1-2-13-6-3-7-9(12)5-14-10(7)8(11)4-6/h3-4,9H,2,5,12H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine?
(3R)-5-ethoxy-7-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 (3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130612649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).