2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol

C9H21NO4 — CID 146605981

IUPAC2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
SMILESCNC(O)COCCCOCCOC
InChIInChI=1S/C9H21NO4/c1-10-9(11)8-14-5-3-4-13-7-6-12-2/h9-11H,3-8H2,1-2H3
InChIKeyXDMWRNNPNACHQV-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.41
Rot. Bonds10

About 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol

2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol (PubChem CID 146605981) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
PubChem CID146605981
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
SMILESCNC(O)COCCCOCCOC
InChIInChI=1S/C9H21NO4/c1-10-9(11)8-14-5-3-4-13-7-6-12-2/h9-11H,3-8H2,1-2H3
InChIKeyXDMWRNNPNACHQV-UHFFFAOYSA-N
XLogP-0.41
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
CID 103403802
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol (CID 146605981) is 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol is CNC(O)COCCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol?
The InChIKey is XDMWRNNPNACHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-10-9(11)8-14-5-3-4-13-7-6-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol?
2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol has a molecular weight of 207.27 g/mol, XLogP of -0.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol is sourced from PubChem (CID 146605981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).