2-[(1S)-1-aminoethyl]-4,6-diiodophenol

C8H9I2NO — CID 130709990

IUPAC2-[(1S)-1-aminoethyl]-4,6-diiodophenol
SMILESC[C@H](N)c1cc(I)cc(I)c1O
InChIInChI=1S/C8H9I2NO/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-4,12H,11H2,1H3/t4-/m0/s1
InChIKeyIQZLQANVTVIIOF-BYPYZUCNSA-N
MW388.97 g/mol
LogP2.62
Rot. Bonds1

About 2-[(1S)-1-aminoethyl]-4,6-diiodophenol

2-[(1S)-1-aminoethyl]-4,6-diiodophenol (PubChem CID 130709990) has the molecular formula C8H9I2NO and a molecular weight of 388.97 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-4,6-diiodophenol
PubChem CID130709990
Molecular FormulaC8H9I2NO
Molecular Weight388.97 g/mol
Exact Mass388.88
IUPAC Name2-[(1S)-1-aminoethyl]-4,6-diiodophenol
SMILESC[C@H](N)c1cc(I)cc(I)c1O
InChIInChI=1S/C8H9I2NO/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-4,12H,11H2,1H3/t4-/m0/s1
InChIKeyIQZLQANVTVIIOF-BYPYZUCNSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
CID 130604734
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol;hydrochloride
CID 171271638
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-4,6-diiodophenol;hydrochloride
CID 171271648
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
CID 171251664
2-[(1S)-1-aminobutyl]-4,6-diiodophenol
CID 131101034
copper 2,4,6-triiodophenol
CID 54602337
2-[(S)-amino(cyclohexyl)methyl]-4,6-diiodophenol
CID 171235517
3-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 85057067
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4,6-diiodophenol
CID 171265985
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-diiodophenol
CID 171271640
2-[(1S)-1,4-diaminobutyl]-4,6-diiodophenol;hydrochloride
CID 171235496
2-[(1S,2R)-1-amino-2-hydroxyhexyl]-4,6-diiodophenol
CID 171271657

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-4,6-diiodophenol?
The IUPAC name of 2-[(1S)-1-aminoethyl]-4,6-diiodophenol (CID 130709990) is 2-[(1S)-1-aminoethyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-4,6-diiodophenol is C[C@H](N)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-4,6-diiodophenol?
The InChIKey is IQZLQANVTVIIOF-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9I2NO/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-4,12H,11H2,1H3/t4-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-4,6-diiodophenol?
2-[(1S)-1-aminoethyl]-4,6-diiodophenol has a molecular weight of 388.97 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-4,6-diiodophenol is sourced from PubChem (CID 130709990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).