2-(1H-indol-3-yl)ethanamine;methyl hypoiodite

C11H15IN2O — CID 143451156

IUPAC2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
SMILESCOI.NCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2.CH3IO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-3-2/h1-4,7,12H,5-6,11H2;1H3
InChIKeyJSFQLOJZHHBDQF-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.65
Rot. Bonds2

About 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite

2-(1H-indol-3-yl)ethanamine;methyl hypoiodite (PubChem CID 143451156) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
PubChem CID143451156
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
SMILESCOI.NCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2.CH3IO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-3-2/h1-4,7,12H,5-6,11H2;1H3
InChIKeyJSFQLOJZHHBDQF-UHFFFAOYSA-N
XLogP2.65
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)ethanamine;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

acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
2-bromobutanoic acid;2-(1H-indol-3-yl)ethanamine
CID 175464144
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
3-ethyl-1H-indole;methanamine
CID 142222050
[3-(2-aminoethyl)-1H-indol-5-yl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 57497989
3-heptyl-1H-indole
CID 15360907

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite?
The IUPAC name of 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite (CID 143451156) is 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite.
What is the SMILES notation for 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite?
The canonical SMILES for 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite is COI.NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite?
The InChIKey is JSFQLOJZHHBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.CH3IO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-3-2/h1-4,7,12H,5-6,11H2;1H3.
What are the key properties of 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite?
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite has a molecular weight of 318.16 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethanamine;methyl hypoiodite is sourced from PubChem (CID 143451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).