(1S)-1-[methoxy(methyl)amino]ethanol

C4H11NO2 — CID 130292263

IUPAC(1S)-1-[methoxy(methyl)amino]ethanol
SMILESCON(C)[C@H](C)O
InChIInChI=1S/C4H11NO2/c1-4(6)5(2)7-3/h4,6H,1-3H3/t4-/m0/s1
InChIKeySQTOOZAADYFHJI-BYPYZUCNSA-N
MW105.14 g/mol
LogP-0.18
Rot. Bonds2

About (1S)-1-[methoxy(methyl)amino]ethanol

(1S)-1-[methoxy(methyl)amino]ethanol (PubChem CID 130292263) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is (1S)-1-[methoxy(methyl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-[methoxy(methyl)amino]ethanol
PubChem CID130292263
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name(1S)-1-[methoxy(methyl)amino]ethanol
SMILESCON(C)[C@H](C)O
InChIInChI=1S/C4H11NO2/c1-4(6)5(2)7-3/h4,6H,1-3H3/t4-/m0/s1
InChIKeySQTOOZAADYFHJI-BYPYZUCNSA-N
XLogP-0.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[methoxy(methyl)amino]ethanol?
The IUPAC name of (1S)-1-[methoxy(methyl)amino]ethanol (CID 130292263) is (1S)-1-[methoxy(methyl)amino]ethanol.
What is the SMILES notation for (1S)-1-[methoxy(methyl)amino]ethanol?
The canonical SMILES for (1S)-1-[methoxy(methyl)amino]ethanol is CON(C)[C@H](C)O.
What is the InChIKey of (1S)-1-[methoxy(methyl)amino]ethanol?
The InChIKey is SQTOOZAADYFHJI-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NO2/c1-4(6)5(2)7-3/h4,6H,1-3H3/t4-/m0/s1.
What are the key properties of (1S)-1-[methoxy(methyl)amino]ethanol?
(1S)-1-[methoxy(methyl)amino]ethanol has a molecular weight of 105.14 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[methoxy(methyl)amino]ethanol is sourced from PubChem (CID 130292263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).