(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol

C8H11IN2O — CID 66515777

IUPAC(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
SMILESNc1ccc(I)cc1[C@H](N)CO
InChIInChI=1S/C8H11IN2O/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-3,8,12H,4,10-11H2/t8-/m1/s1
InChIKeyVSTIINZQGBRNMR-MRVPVSSYSA-N
MW278.09 g/mol
LogP0.87
Rot. Bonds2

About (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol

(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol (PubChem CID 66515777) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
PubChem CID66515777
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
SMILESNc1ccc(I)cc1[C@H](N)CO
InChIInChI=1S/C8H11IN2O/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-3,8,12H,4,10-11H2/t8-/m1/s1
InChIKeyVSTIINZQGBRNMR-MRVPVSSYSA-N
XLogP0.87
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
2-[(1S)-1-amino-2-hydroxyethyl]-5-iodobenzoic acid
CID 66516246
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
2-(2-amino-4-iodoanilino)propane-1,3-diol
CID 66081930

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol (CID 66515777) is (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol is Nc1ccc(I)cc1[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol?
The InChIKey is VSTIINZQGBRNMR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11IN2O/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-3,8,12H,4,10-11H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol?
(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol has a molecular weight of 278.09 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol is sourced from PubChem (CID 66515777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).