(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride

C8H11ClINO — CID 133268753

IUPAC(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cccc(I)c1
InChIInChI=1S/C8H10INO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m0./s1
InChIKeyZKHIZYOXOAPUIO-QRPNPIFTSA-N
MW299.54 g/mol
LogP1.71
Rot. Bonds2

About (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride

(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride (PubChem CID 133268753) has the molecular formula C8H11ClINO and a molecular weight of 299.54 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
PubChem CID133268753
Molecular FormulaC8H11ClINO
Molecular Weight299.54 g/mol
Exact Mass298.96
IUPAC Name(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cccc(I)c1
InChIInChI=1S/C8H10INO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m0./s1
InChIKeyZKHIZYOXOAPUIO-QRPNPIFTSA-N
XLogP1.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 51.71
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

2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
2-ethoxy-1-(3-iodophenyl)ethanamine
CID 105007873
carbon dioxide;1-(3-iodophenyl)propan-1-amine
CID 161357167
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride (CID 133268753) is (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride is Cl.N[C@@H](CO)c1cccc(I)c1.
What is the InChIKey of (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride?
The InChIKey is ZKHIZYOXOAPUIO-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H10INO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride has a molecular weight of 299.54 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride is sourced from PubChem (CID 133268753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).