2-amino-2-(3,5-diiodophenyl)ethanol

C8H9I2NO — CID 130000796

IUPAC2-amino-2-(3,5-diiodophenyl)ethanol
SMILESNC(CO)c1cc(I)cc(I)c1
InChIInChI=1S/C8H9I2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2
InChIKeyNBHADDYICCQTGC-UHFFFAOYSA-N
MW388.97 g/mol
LogP1.89
Rot. Bonds2

About 2-amino-2-(3,5-diiodophenyl)ethanol

2-amino-2-(3,5-diiodophenyl)ethanol (PubChem CID 130000796) has the molecular formula C8H9I2NO and a molecular weight of 388.97 g/mol. Its IUPAC name is 2-amino-2-(3,5-diiodophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,5-diiodophenyl)ethanol
PubChem CID130000796
Molecular FormulaC8H9I2NO
Molecular Weight388.97 g/mol
Exact Mass388.88
IUPAC Name2-amino-2-(3,5-diiodophenyl)ethanol
SMILESNC(CO)c1cc(I)cc(I)c1
InChIInChI=1S/C8H9I2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2
InChIKeyNBHADDYICCQTGC-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol
CID 130624818
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
CID 66515891
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
CID 66515777
3-(1-amino-2-hydroxyethyl)-5-methylphenol
CID 84765201

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-diiodophenyl)ethanol?
The IUPAC name of 2-amino-2-(3,5-diiodophenyl)ethanol (CID 130000796) is 2-amino-2-(3,5-diiodophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,5-diiodophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3,5-diiodophenyl)ethanol is NC(CO)c1cc(I)cc(I)c1.
What is the InChIKey of 2-amino-2-(3,5-diiodophenyl)ethanol?
The InChIKey is NBHADDYICCQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9I2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-2-(3,5-diiodophenyl)ethanol?
2-amino-2-(3,5-diiodophenyl)ethanol has a molecular weight of 388.97 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-diiodophenyl)ethanol is sourced from PubChem (CID 130000796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).