1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol

C13H22N2O4 — CID 106988796

IUPAC1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
SMILESCNCc1ccc(OCC(O)COCCOC)cn1
InChIInChI=1S/C13H22N2O4/c1-14-7-11-3-4-13(8-15-11)19-10-12(16)9-18-6-5-17-2/h3-4,8,12,14,16H,5-7,9-10H2,1-2H3
InChIKeyUBBBRUXHOYHWPZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.20
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol

1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol (PubChem CID 106988796) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
PubChem CID106988796
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
SMILESCNCc1ccc(OCC(O)COCCOC)cn1
InChIInChI=1S/C13H22N2O4/c1-14-7-11-3-4-13(8-15-11)19-10-12(16)9-18-6-5-17-2/h3-4,8,12,14,16H,5-7,9-10H2,1-2H3
InChIKeyUBBBRUXHOYHWPZ-UHFFFAOYSA-N
XLogP0.20
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990717
1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988810
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988607
1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988840
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
N,N-dimethyl-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776398
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol (CID 106988796) is 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol is CNCc1ccc(OCC(O)COCCOC)cn1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
The InChIKey is UBBBRUXHOYHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-14-7-11-3-4-13(8-15-11)19-10-12(16)9-18-6-5-17-2/h3-4,8,12,14,16H,5-7,9-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol has a molecular weight of 270.33 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 106988796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).