1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol

C14H24N2O3 — CID 106991778

IUPAC1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
SMILESCOCCOCC(O)CN(C)CCc1ccncc1
InChIInChI=1S/C14H24N2O3/c1-16(8-5-13-3-6-15-7-4-13)11-14(17)12-19-10-9-18-2/h3-4,6-7,14,17H,5,8-12H2,1-2H3
InChIKeyIBKGRLGVGRHRAL-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.58
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol

1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol (PubChem CID 106991778) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
PubChem CID106991778
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
SMILESCOCCOCC(O)CN(C)CCc1ccncc1
InChIInChI=1S/C14H24N2O3/c1-16(8-5-13-3-6-15-7-4-13)11-14(17)12-19-10-9-18-2/h3-4,6-7,14,17H,5,8-12H2,1-2H3
InChIKeyIBKGRLGVGRHRAL-UHFFFAOYSA-N
XLogP0.58
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
1-methoxy-3-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-ol
CID 62016357
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide
CID 139685675
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol (CID 106991778) is 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol is COCCOCC(O)CN(C)CCc1ccncc1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol?
The InChIKey is IBKGRLGVGRHRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(8-5-13-3-6-15-7-4-13)11-14(17)12-19-10-9-18-2/h3-4,6-7,14,17H,5,8-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol?
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 106991778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).