N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine

C13H20ClN3O — CID 55054611

IUPACN-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(N2CCOC(C)C2)ccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-15-8-12-11(14)4-5-13(16-12)17-6-7-18-10(2)9-17/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyRXZODGQTMVXFLL-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.07
Rot. Bonds4

About N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 55054611) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID55054611
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(N2CCOC(C)C2)ccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-15-8-12-11(14)4-5-13(16-12)17-6-7-18-10(2)9-17/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyRXZODGQTMVXFLL-UHFFFAOYSA-N
XLogP2.07
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine (CID 55054611) is N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(N2CCOC(C)C2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is RXZODGQTMVXFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-15-8-12-11(14)4-5-13(16-12)17-6-7-18-10(2)9-17/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 269.78 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55054611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).