1-aminoethanol

C2H7NO — CID 522583

IUPAC1-aminoethanol
SMILESCC(N)O
InChIInChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3
InChIKeyUJPKMTDFFUTLGM-UHFFFAOYSA-N
MW61.08 g/mol
LogP-0.72
Rot. Bonds

About 1-aminoethanol

1-aminoethanol (PubChem CID 522583) has the molecular formula C2H7NO and a molecular weight of 61.08 g/mol. Its IUPAC name is 1-aminoethanol.

Molecular Properties

Compound Name1-aminoethanol
PubChem CID522583
Molecular FormulaC2H7NO
Molecular Weight61.08 g/mol
Exact Mass61.05
IUPAC Name1-aminoethanol
SMILESCC(N)O
InChIInChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3
InChIKeyUJPKMTDFFUTLGM-UHFFFAOYSA-N
XLogP-0.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.08
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-aminoethanol?
The IUPAC name of 1-aminoethanol (CID 522583) is 1-aminoethanol.
What is the SMILES notation for 1-aminoethanol?
The canonical SMILES for 1-aminoethanol is CC(N)O.
What is the InChIKey of 1-aminoethanol?
The InChIKey is UJPKMTDFFUTLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol?
1-aminoethanol has a molecular weight of 61.08 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol is sourced from PubChem (CID 522583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).