3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine

C12H20N2O2 — CID 102927950

IUPAC3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine
SMILESCOCCOCCC(N)c1cnccc1C
InChIInChI=1S/C12H20N2O2/c1-10-3-5-14-9-11(10)12(13)4-6-16-8-7-15-2/h3,5,9,12H,4,6-8,13H2,1-2H3
InChIKeyCDVHURMCYPBQBZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.44
Rot. Bonds7

About 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine

3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine (PubChem CID 102927950) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine
PubChem CID102927950
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine
SMILESCOCCOCCC(N)c1cnccc1C
InChIInChI=1S/C12H20N2O2/c1-10-3-5-14-9-11(10)12(13)4-6-16-8-7-15-2/h3,5,9,12H,4,6-8,13H2,1-2H3
InChIKeyCDVHURMCYPBQBZ-UHFFFAOYSA-N
XLogP1.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927761
[3-methoxy-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105206412
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102927840
[1-(3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930056
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(1R)-1-(4-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55271212
3-(furan-2-yl)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 105164227
4-[2-(2-methoxyethoxy)ethoxy]pyridin-3-amine
CID 104559949
4-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55294329
2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 130699391

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine (CID 102927950) is 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine is COCCOCCC(N)c1cnccc1C.
What is the InChIKey of 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is CDVHURMCYPBQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-3-5-14-9-11(10)12(13)4-6-16-8-7-15-2/h3,5,9,12H,4,6-8,13H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine?
3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 102927950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).