2-(hydroxymethoxy)-1-(methylamino)ethanol

C4H11NO3 — CID 163734431

IUPAC2-(hydroxymethoxy)-1-(methylamino)ethanol
SMILESCNC(O)COCO
InChIInChI=1S/C4H11NO3/c1-5-4(7)2-8-3-6/h4-7H,2-3H2,1H3
InChIKeyLCIWRQPLKYDSOV-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.51
Rot. Bonds4

About 2-(hydroxymethoxy)-1-(methylamino)ethanol

2-(hydroxymethoxy)-1-(methylamino)ethanol (PubChem CID 163734431) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(hydroxymethoxy)-1-(methylamino)ethanol.

Molecular Properties

Compound Name2-(hydroxymethoxy)-1-(methylamino)ethanol
PubChem CID163734431
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name2-(hydroxymethoxy)-1-(methylamino)ethanol
SMILESCNC(O)COCO
InChIInChI=1S/C4H11NO3/c1-5-4(7)2-8-3-6/h4-7H,2-3H2,1H3
InChIKeyLCIWRQPLKYDSOV-UHFFFAOYSA-N
XLogP-1.51
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
CID 146605981
2,3-dimethylbutoxymethanol
CID 158248678
2,2-dichloroethoxymethanol
CID 71367680
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
1-[2,2-bis(methylamino)ethoxy]ethanol
CID 88636385
1,3,4-tris(methylamino)pentane-1,5-diol
CID 174713923
2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54143960
2-(methylamino)propane-1,1,3-triol
CID 175078903
3-amino-1-(methylamino)propan-1-ol
CID 54301094
2,5-dimethylheptoxymethanol
CID 88543296
(3S)-3-hydroxy-3-(methylamino)propanal
CID 174657430
azane;hydroxymethoxymethanol
CID 174600745

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)-1-(methylamino)ethanol?
The IUPAC name of 2-(hydroxymethoxy)-1-(methylamino)ethanol (CID 163734431) is 2-(hydroxymethoxy)-1-(methylamino)ethanol.
What is the SMILES notation for 2-(hydroxymethoxy)-1-(methylamino)ethanol?
The canonical SMILES for 2-(hydroxymethoxy)-1-(methylamino)ethanol is CNC(O)COCO.
What is the InChIKey of 2-(hydroxymethoxy)-1-(methylamino)ethanol?
The InChIKey is LCIWRQPLKYDSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-5-4(7)2-8-3-6/h4-7H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethoxy)-1-(methylamino)ethanol?
2-(hydroxymethoxy)-1-(methylamino)ethanol has a molecular weight of 121.14 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)-1-(methylamino)ethanol is sourced from PubChem (CID 163734431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).