2-ethoxy-N-(iodomethyl)ethanamine

C5H12INO — CID 118400256

IUPAC2-ethoxy-N-(iodomethyl)ethanamine
SMILESCCOCCNCI
InChIInChI=1S/C5H12INO/c1-2-8-4-3-7-5-6/h7H,2-5H2,1H3
InChIKeyURBRHICWTJLXIX-UHFFFAOYSA-N
MW229.06 g/mol
LogP1.00
Rot. Bonds5

About 2-ethoxy-N-(iodomethyl)ethanamine

2-ethoxy-N-(iodomethyl)ethanamine (PubChem CID 118400256) has the molecular formula C5H12INO and a molecular weight of 229.06 g/mol. Its IUPAC name is 2-ethoxy-N-(iodomethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(iodomethyl)ethanamine
PubChem CID118400256
Molecular FormulaC5H12INO
Molecular Weight229.06 g/mol
Exact Mass229.00
IUPAC Name2-ethoxy-N-(iodomethyl)ethanamine
SMILESCCOCCNCI
InChIInChI=1S/C5H12INO/c1-2-8-4-3-7-5-6/h7H,2-5H2,1H3
InChIKeyURBRHICWTJLXIX-UHFFFAOYSA-N
XLogP1.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
CID 89426225
CID 89426225
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
CID 143071709
1-(2-ethoxyethylamino)propan-2-ol
CID 43393547

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(iodomethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(iodomethyl)ethanamine (CID 118400256) is 2-ethoxy-N-(iodomethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(iodomethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(iodomethyl)ethanamine is CCOCCNCI.
What is the InChIKey of 2-ethoxy-N-(iodomethyl)ethanamine?
The InChIKey is URBRHICWTJLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12INO/c1-2-8-4-3-7-5-6/h7H,2-5H2,1H3.
What are the key properties of 2-ethoxy-N-(iodomethyl)ethanamine?
2-ethoxy-N-(iodomethyl)ethanamine has a molecular weight of 229.06 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(iodomethyl)ethanamine is sourced from PubChem (CID 118400256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).