2-amino-1-methoxyethanol

C3H9NO2 — CID 22111431

IUPAC2-amino-1-methoxyethanol
SMILESCOC(O)CN
InChIInChI=1S/C3H9NO2/c1-6-3(5)2-4/h3,5H,2,4H2,1H3
InChIKeyKZQJDPGJTFNOGX-UHFFFAOYSA-N
MW91.11 g/mol
LogP-1.09
Rot. Bonds2

About 2-amino-1-methoxyethanol

2-amino-1-methoxyethanol (PubChem CID 22111431) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is 2-amino-1-methoxyethanol.

Molecular Properties

Compound Name2-amino-1-methoxyethanol
PubChem CID22111431
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Name2-amino-1-methoxyethanol
SMILESCOC(O)CN
InChIInChI=1S/C3H9NO2/c1-6-3(5)2-4/h3,5H,2,4H2,1H3
InChIKeyKZQJDPGJTFNOGX-UHFFFAOYSA-N
XLogP-1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-1.09
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 2-amino-1-methoxyethanol 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 2-amino-1-methoxyethanol?
The IUPAC name of 2-amino-1-methoxyethanol (CID 22111431) is 2-amino-1-methoxyethanol.
What is the SMILES notation for 2-amino-1-methoxyethanol?
The canonical SMILES for 2-amino-1-methoxyethanol is COC(O)CN.
What is the InChIKey of 2-amino-1-methoxyethanol?
The InChIKey is KZQJDPGJTFNOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-6-3(5)2-4/h3,5H,2,4H2,1H3.
What are the key properties of 2-amino-1-methoxyethanol?
2-amino-1-methoxyethanol has a molecular weight of 91.11 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methoxyethanol is sourced from PubChem (CID 22111431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).