2-amino-1-ethoxyethanol

C4H11NO2 — CID 21114145

IUPAC2-amino-1-ethoxyethanol
SMILESCCOC(O)CN
InChIInChI=1S/C4H11NO2/c1-2-7-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKeyWKJYBARSSHPINT-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.70
Rot. Bonds3

About 2-amino-1-ethoxyethanol

2-amino-1-ethoxyethanol (PubChem CID 21114145) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-amino-1-ethoxyethanol.

Molecular Properties

Compound Name2-amino-1-ethoxyethanol
PubChem CID21114145
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-amino-1-ethoxyethanol
SMILESCCOC(O)CN
InChIInChI=1S/C4H11NO2/c1-2-7-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKeyWKJYBARSSHPINT-UHFFFAOYSA-N
XLogP-0.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethoxyethanol?
The IUPAC name of 2-amino-1-ethoxyethanol (CID 21114145) is 2-amino-1-ethoxyethanol.
What is the SMILES notation for 2-amino-1-ethoxyethanol?
The canonical SMILES for 2-amino-1-ethoxyethanol is CCOC(O)CN.
What is the InChIKey of 2-amino-1-ethoxyethanol?
The InChIKey is WKJYBARSSHPINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-2-7-4(6)3-5/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-amino-1-ethoxyethanol?
2-amino-1-ethoxyethanol has a molecular weight of 105.14 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethoxyethanol is sourced from PubChem (CID 21114145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).