2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol

C7H16INO2 — CID 57128615

IUPAC2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol
SMILESCC(CI)N(CCO)CCO
InChIInChI=1S/C7H16INO2/c1-7(6-8)9(2-4-10)3-5-11/h7,10-11H,2-6H2,1H3
InChIKeyLFZOOJWKUMQVIG-UHFFFAOYSA-N
MW273.11 g/mol
LogP0.10
Rot. Bonds6

About 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol

2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol (PubChem CID 57128615) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol
PubChem CID57128615
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol
SMILESCC(CI)N(CCO)CCO
InChIInChI=1S/C7H16INO2/c1-7(6-8)9(2-4-10)3-5-11/h7,10-11H,2-6H2,1H3
InChIKeyLFZOOJWKUMQVIG-UHFFFAOYSA-N
XLogP0.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol (CID 57128615) is 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol is CC(CI)N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol?
The InChIKey is LFZOOJWKUMQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16INO2/c1-7(6-8)9(2-4-10)3-5-11/h7,10-11H,2-6H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol?
2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol has a molecular weight of 273.11 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(1-iodopropan-2-yl)amino]ethanol is sourced from PubChem (CID 57128615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).