2-(ethylaminomethyl)-4,6-diiodophenol

C9H11I2NO — CID 130693520

IUPAC2-(ethylaminomethyl)-4,6-diiodophenol
SMILESCCNCc1cc(I)cc(I)c1O
InChIInChI=1S/C9H11I2NO/c1-2-12-5-6-3-7(10)4-8(11)9(6)13/h3-4,12-13H,2,5H2,1H3
InChIKeySJLJPDONLQOFOQ-UHFFFAOYSA-N
MW403.00 g/mol
LogP2.71
Rot. Bonds3

About 2-(ethylaminomethyl)-4,6-diiodophenol

2-(ethylaminomethyl)-4,6-diiodophenol (PubChem CID 130693520) has the molecular formula C9H11I2NO and a molecular weight of 403.00 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4,6-diiodophenol.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4,6-diiodophenol
PubChem CID130693520
Molecular FormulaC9H11I2NO
Molecular Weight403.00 g/mol
Exact Mass402.89
IUPAC Name2-(ethylaminomethyl)-4,6-diiodophenol
SMILESCCNCc1cc(I)cc(I)c1O
InChIInChI=1S/C9H11I2NO/c1-2-12-5-6-3-7(10)4-8(11)9(6)13/h3-4,12-13H,2,5H2,1H3
InChIKeySJLJPDONLQOFOQ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.00
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4,6-diiodophenol?
The IUPAC name of 2-(ethylaminomethyl)-4,6-diiodophenol (CID 130693520) is 2-(ethylaminomethyl)-4,6-diiodophenol.
What is the SMILES notation for 2-(ethylaminomethyl)-4,6-diiodophenol?
The canonical SMILES for 2-(ethylaminomethyl)-4,6-diiodophenol is CCNCc1cc(I)cc(I)c1O.
What is the InChIKey of 2-(ethylaminomethyl)-4,6-diiodophenol?
The InChIKey is SJLJPDONLQOFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11I2NO/c1-2-12-5-6-3-7(10)4-8(11)9(6)13/h3-4,12-13H,2,5H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-4,6-diiodophenol?
2-(ethylaminomethyl)-4,6-diiodophenol has a molecular weight of 403.00 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4,6-diiodophenol is sourced from PubChem (CID 130693520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).