N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine

C11H15ClN2O2 — CID 102607900

IUPACN-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(OC2COC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-2-13-4-8-3-10(12)11(14-5-8)16-9-6-15-7-9/h3,5,9,13H,2,4,6-7H2,1H3
InChIKeyAFENKNMAAWYQEZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.62
Rot. Bonds5

About N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 102607900) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine
PubChem CID102607900
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(OC2COC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-2-13-4-8-3-10(12)11(14-5-8)16-9-6-15-7-9/h3,5,9,13H,2,4,6-7H2,1H3
InChIKeyAFENKNMAAWYQEZ-UHFFFAOYSA-N
XLogP1.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[(5-chloro-6-pent-4-enoxy-3-pyridinyl)methyl]ethanamine
CID 79114404
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 63557699
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine (CID 102607900) is N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(OC2COC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is AFENKNMAAWYQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-13-4-8-3-10(12)11(14-5-8)16-9-6-15-7-9/h3,5,9,13H,2,4,6-7H2,1H3.
What are the key properties of N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 242.71 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 102607900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).