1-ethoxyethanamine

C4H11NO — CID 11228797

IUPAC1-ethoxyethanamine
SMILESCCOC(C)N
InChIInChI=1S/C4H11NO/c1-3-6-4(2)5/h4H,3,5H2,1-2H3
InChIKeyILRZBPLDJKEWRW-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.33
Rot. Bonds2

About 1-ethoxyethanamine

1-ethoxyethanamine (PubChem CID 11228797) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is 1-ethoxyethanamine.

Molecular Properties

Compound Name1-ethoxyethanamine
PubChem CID11228797
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name1-ethoxyethanamine
SMILESCCOC(C)N
InChIInChI=1S/C4H11NO/c1-3-6-4(2)5/h4H,3,5H2,1-2H3
InChIKeyILRZBPLDJKEWRW-UHFFFAOYSA-N
XLogP0.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxyethanamine 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

Propanolamine ethyl ether
CID 22720
Ethoxyethylamine
CID 66970
3-Propoxypropylamine
CID 85579
1-Methoxypropan-1-amine
CID 14619209
Gammabeta-aminoethyl ether
CID 17857504
Methoxyethanamine
CID 19353429
Butoxypropanamine
CID 22184064
1-ethoxy-N-fluoropropan-1-amine
CID 21657419
1-ethoxy-N-fluoroethanamine
CID 88597500
1-(2,2,2-Trifluoroethoxy)ethanamine
CID 123896684
(1S)-1-(2,2-difluoroethoxy)ethanamine
CID 177328064
3-Ethoxypropylazanium
CID 6992743

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethanamine?
The IUPAC name of 1-ethoxyethanamine (CID 11228797) is 1-ethoxyethanamine.
What is the SMILES notation for 1-ethoxyethanamine?
The canonical SMILES for 1-ethoxyethanamine is CCOC(C)N.
What is the InChIKey of 1-ethoxyethanamine?
The InChIKey is ILRZBPLDJKEWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-6-4(2)5/h4H,3,5H2,1-2H3.
What are the key properties of 1-ethoxyethanamine?
1-ethoxyethanamine has a molecular weight of 89.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanamine is sourced from PubChem (CID 11228797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).