2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine

C11H17ClN2O2 — CID 59108611

IUPAC2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine
SMILESCCOC(CN)(OCC)c1cncc(Cl)c1
InChIInChI=1S/C11H17ClN2O2/c1-3-15-11(8-13,16-4-2)9-5-10(12)7-14-6-9/h5-7H,3-4,8,13H2,1-2H3
InChIKeyYXRLSGXDEJRUJA-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.92
Rot. Bonds6

About 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine

2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine (PubChem CID 59108611) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine
PubChem CID59108611
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine
SMILESCCOC(CN)(OCC)c1cncc(Cl)c1
InChIInChI=1S/C11H17ClN2O2/c1-3-15-11(8-13,16-4-2)9-5-10(12)7-14-6-9/h5-7H,3-4,8,13H2,1-2H3
InChIKeyYXRLSGXDEJRUJA-UHFFFAOYSA-N
XLogP1.92
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine 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 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine (CID 59108611) is 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine is CCOC(CN)(OCC)c1cncc(Cl)c1.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine?
The InChIKey is YXRLSGXDEJRUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-3-15-11(8-13,16-4-2)9-5-10(12)7-14-6-9/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine?
2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine has a molecular weight of 244.72 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-pyridinyl)-2,2-diethoxyethanamine is sourced from PubChem (CID 59108611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).