ethanamine;1-ethoxyethanol

C6H17NO2 — CID 20501270

IUPACethanamine;1-ethoxyethanol
SMILESCCN.CCOC(C)O
InChIInChI=1S/C4H10O2.C2H7N/c1-3-6-4(2)5;1-2-3/h4-5H,3H2,1-2H3;2-3H2,1H3
InChIKeyRPTYDCQZWFFBFM-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.33
Rot. Bonds2

About ethanamine;1-ethoxyethanol

ethanamine;1-ethoxyethanol (PubChem CID 20501270) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is ethanamine;1-ethoxyethanol.

Molecular Properties

Compound Nameethanamine;1-ethoxyethanol
PubChem CID20501270
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Nameethanamine;1-ethoxyethanol
SMILESCCN.CCOC(C)O
InChIInChI=1S/C4H10O2.C2H7N/c1-3-6-4(2)5;1-2-3/h4-5H,3H2,1-2H3;2-3H2,1H3
InChIKeyRPTYDCQZWFFBFM-UHFFFAOYSA-N
XLogP0.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanamine;1-ethoxyethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanamine;1-ethoxyethanol?
The IUPAC name of ethanamine;1-ethoxyethanol (CID 20501270) is ethanamine;1-ethoxyethanol.
What is the SMILES notation for ethanamine;1-ethoxyethanol?
The canonical SMILES for ethanamine;1-ethoxyethanol is CCN.CCOC(C)O.
What is the InChIKey of ethanamine;1-ethoxyethanol?
The InChIKey is RPTYDCQZWFFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C2H7N/c1-3-6-4(2)5;1-2-3/h4-5H,3H2,1-2H3;2-3H2,1H3.
What are the key properties of ethanamine;1-ethoxyethanol?
ethanamine;1-ethoxyethanol has a molecular weight of 135.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-ethoxyethanol is sourced from PubChem (CID 20501270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).