2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol

C12H19IN2O2 — CID 114263633

IUPAC2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol
SMILESCCN(CCOCCO)c1ccc(I)cc1N
InChIInChI=1S/C12H19IN2O2/c1-2-15(5-7-17-8-6-16)12-4-3-10(13)9-11(12)14/h3-4,9,16H,2,5-8,14H2,1H3
InChIKeyWXGBEDYQSFKMTJ-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.71
Rot. Bonds7

About 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol

2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol (PubChem CID 114263633) has the molecular formula C12H19IN2O2 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol
PubChem CID114263633
Molecular FormulaC12H19IN2O2
Molecular Weight350.20 g/mol
Exact Mass350.05
IUPAC Name2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol
SMILESCCN(CCOCCO)c1ccc(I)cc1N
InChIInChI=1S/C12H19IN2O2/c1-2-15(5-7-17-8-6-16)12-4-3-10(13)9-11(12)14/h3-4,9,16H,2,5-8,14H2,1H3
InChIKeyWXGBEDYQSFKMTJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol (CID 114263633) is 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol is CCN(CCOCCO)c1ccc(I)cc1N.
What is the InChIKey of 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol?
The InChIKey is WXGBEDYQSFKMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2/c1-2-15(5-7-17-8-6-16)12-4-3-10(13)9-11(12)14/h3-4,9,16H,2,5-8,14H2,1H3.
What are the key properties of 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol?
2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol has a molecular weight of 350.20 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol is sourced from PubChem (CID 114263633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).