(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine

C12H20N2O3 — CID 104562671

IUPAC(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
SMILESCOCCOCCOc1cc([C@H](C)N)ccn1
InChIInChI=1S/C12H20N2O3/c1-10(13)11-3-4-14-12(9-11)17-8-7-16-6-5-15-2/h3-4,9-10H,5-8,13H2,1-2H3/t10-/m0/s1
InChIKeyGCLSMLORFCLSTG-JTQLQIEISA-N
MW240.30 g/mol
LogP1.14
Rot. Bonds8

About (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine

(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine (PubChem CID 104562671) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
PubChem CID104562671
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
SMILESCOCCOCCOc1cc([C@H](C)N)ccn1
InChIInChI=1S/C12H20N2O3/c1-10(13)11-3-4-14-12(9-11)17-8-7-16-6-5-15-2/h3-4,9-10H,5-8,13H2,1-2H3/t10-/m0/s1
InChIKeyGCLSMLORFCLSTG-JTQLQIEISA-N
XLogP1.14
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
CID 114248487
4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
N-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine (CID 104562671) is (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine is COCCOCCOc1cc([C@H](C)N)ccn1.
What is the InChIKey of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine?
The InChIKey is GCLSMLORFCLSTG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(13)11-3-4-14-12(9-11)17-8-7-16-6-5-15-2/h3-4,9-10H,5-8,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine?
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine has a molecular weight of 240.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine is sourced from PubChem (CID 104562671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).