3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine

C12H20N2O2 — CID 28720665

IUPAC3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCOCCOCCCNCc1ccncc1
InChIInChI=1S/C12H20N2O2/c1-15-9-10-16-8-2-5-14-11-12-3-6-13-7-4-12/h3-4,6-7,14H,2,5,8-11H2,1H3
InChIKeyOMXMOPZOUACOLT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine

3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 28720665) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID28720665
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCOCCOCCCNCc1ccncc1
InChIInChI=1S/C12H20N2O2/c1-15-9-10-16-8-2-5-14-11-12-3-6-13-7-4-12/h3-4,6-7,14H,2,5,8-11H2,1H3
InChIKeyOMXMOPZOUACOLT-UHFFFAOYSA-N
XLogP1.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
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

[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 107037714
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 82097706
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
2-(2-methoxyethoxy)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747851

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine (CID 28720665) is 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine is COCCOCCCNCc1ccncc1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is OMXMOPZOUACOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-15-9-10-16-8-2-5-14-11-12-3-6-13-7-4-12/h3-4,6-7,14H,2,5,8-11H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 28720665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).