1-(methylamino)ethanol

C3H9NO — CID 5247031

IUPAC1-(methylamino)ethanol
SMILESCNC(C)O
InChIInChI=1S/C3H9NO/c1-3(5)4-2/h3-5H,1-2H3
InChIKeyFPDNKWSQWXOPSC-UHFFFAOYSA-N
MW75.11 g/mol
LogP-0.46
Rot. Bonds1

About 1-(methylamino)ethanol

1-(methylamino)ethanol (PubChem CID 5247031) has the molecular formula C3H9NO and a molecular weight of 75.11 g/mol. Its IUPAC name is 1-(methylamino)ethanol.

Molecular Properties

Compound Name1-(methylamino)ethanol
PubChem CID5247031
Molecular FormulaC3H9NO
Molecular Weight75.11 g/mol
Exact Mass75.07
IUPAC Name1-(methylamino)ethanol
SMILESCNC(C)O
InChIInChI=1S/C3H9NO/c1-3(5)4-2/h3-5H,1-2H3
InChIKeyFPDNKWSQWXOPSC-UHFFFAOYSA-N
XLogP-0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 5-0.46
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-(methylamino)ethanol?
The IUPAC name of 1-(methylamino)ethanol (CID 5247031) is 1-(methylamino)ethanol.
What is the SMILES notation for 1-(methylamino)ethanol?
The canonical SMILES for 1-(methylamino)ethanol is CNC(C)O.
What is the InChIKey of 1-(methylamino)ethanol?
The InChIKey is FPDNKWSQWXOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO/c1-3(5)4-2/h3-5H,1-2H3.
What are the key properties of 1-(methylamino)ethanol?
1-(methylamino)ethanol has a molecular weight of 75.11 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethanol is sourced from PubChem (CID 5247031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).