2-amino-1-(2-iodophenyl)ethanol

C8H10INO — CID 14059960

IUPAC2-amino-1-(2-iodophenyl)ethanol
SMILESNCC(O)c1ccccc1I
InChIInChI=1S/C8H10INO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKeyCWLIBAOBIAUKPM-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.28
Rot. Bonds2

About 2-amino-1-(2-iodophenyl)ethanol

2-amino-1-(2-iodophenyl)ethanol (PubChem CID 14059960) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-amino-1-(2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-iodophenyl)ethanol
PubChem CID14059960
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name2-amino-1-(2-iodophenyl)ethanol
SMILESNCC(O)c1ccccc1I
InChIInChI=1S/C8H10INO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKeyCWLIBAOBIAUKPM-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-iodophenyl)ethanol?
The IUPAC name of 2-amino-1-(2-iodophenyl)ethanol (CID 14059960) is 2-amino-1-(2-iodophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-iodophenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-iodophenyl)ethanol is NCC(O)c1ccccc1I.
What is the InChIKey of 2-amino-1-(2-iodophenyl)ethanol?
The InChIKey is CWLIBAOBIAUKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H,5,10H2.
What are the key properties of 2-amino-1-(2-iodophenyl)ethanol?
2-amino-1-(2-iodophenyl)ethanol has a molecular weight of 263.08 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-iodophenyl)ethanol is sourced from PubChem (CID 14059960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).