[4-(ethylamino)phenyl]methyl hypoiodite

C9H12INO — CID 129098475

IUPAC[4-(ethylamino)phenyl]methyl hypoiodite
SMILESCCNc1ccc(COI)cc1
InChIInChI=1S/C9H12INO/c1-2-11-9-5-3-8(4-6-9)7-12-10/h3-6,11H,2,7H2,1H3
InChIKeyLAIINFUOFIIPTJ-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.98
Rot. Bonds4

About [4-(ethylamino)phenyl]methyl hypoiodite

[4-(ethylamino)phenyl]methyl hypoiodite (PubChem CID 129098475) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is [4-(ethylamino)phenyl]methyl hypoiodite.

Molecular Properties

Compound Name[4-(ethylamino)phenyl]methyl hypoiodite
PubChem CID129098475
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name[4-(ethylamino)phenyl]methyl hypoiodite
SMILESCCNc1ccc(COI)cc1
InChIInChI=1S/C9H12INO/c1-2-11-9-5-3-8(4-6-9)7-12-10/h3-6,11H,2,7H2,1H3
InChIKeyLAIINFUOFIIPTJ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(ethylamino)phenyl]methyl hypoiodite 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

4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
CID 145302198
N,4-diethylaniline
CID 6429431
ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
CID 176948818
N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline
CID 153362594
N-ethyl-4-(2-ethylperoxyethyl)aniline
CID 89031975
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
N-ethyl-4-[(2-methylhydrazinyl)methyl]aniline
CID 143614466
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915
N-ethyl-4-nonylaniline
CID 154108619
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)phenyl]methyl hypoiodite?
The IUPAC name of [4-(ethylamino)phenyl]methyl hypoiodite (CID 129098475) is [4-(ethylamino)phenyl]methyl hypoiodite.
What is the SMILES notation for [4-(ethylamino)phenyl]methyl hypoiodite?
The canonical SMILES for [4-(ethylamino)phenyl]methyl hypoiodite is CCNc1ccc(COI)cc1.
What is the InChIKey of [4-(ethylamino)phenyl]methyl hypoiodite?
The InChIKey is LAIINFUOFIIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO/c1-2-11-9-5-3-8(4-6-9)7-12-10/h3-6,11H,2,7H2,1H3.
What are the key properties of [4-(ethylamino)phenyl]methyl hypoiodite?
[4-(ethylamino)phenyl]methyl hypoiodite has a molecular weight of 277.11 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)phenyl]methyl hypoiodite is sourced from PubChem (CID 129098475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).