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'}

Analyze 2-(ethylaminomethyl)-4,6-diiodophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(4-ethylpiperazin-1-yl)propylamino]methyl]-4,6-diiodophenol
CID 119041348
2-[(5-ethyl-2-hydroxyanilino)methyl]-4,6-diiodophenol
CID 122695013
copper 2,4,6-triiodophenol
CID 54602337
2,4-diiodo-6-[[[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methyl]phenol
CID 124863844
N-[(2-chloro-5-iodophenyl)methyl]ethanamine
CID 69098832
(E)-2,3-bis[(2-hydroxy-3,5-diiodophenyl)methyl]but-2-enedioic acid
CID 67824936
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
4-tert-butyl-2-[[[3-[[5-tert-butyl-3-(ethylaminomethyl)-2-hydroxyphenyl]methylamino]-2,2-dimethylpropyl]amino]methyl]-6-(ethylaminomethyl)phenol
CID 138465302
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
2-(ethylaminomethyl)phenol
CID 12995218

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).