5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine

C13H21ClN2O — CID 118419790

IUPAC5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(Cl)ncc1OCC(C)CC(C)(C)N
InChIInChI=1S/C13H21ClN2O/c1-9(6-13(3,4)15)8-17-11-7-16-12(14)5-10(11)2/h5,7,9H,6,8,15H2,1-4H3
InChIKeyXEUXNUUWFIPJAH-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.19
Rot. Bonds5

About 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine

5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118419790) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
PubChem CID118419790
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(Cl)ncc1OCC(C)CC(C)(C)N
InChIInChI=1S/C13H21ClN2O/c1-9(6-13(3,4)15)8-17-11-7-16-12(14)5-10(11)2/h5,7,9H,6,8,15H2,1-4H3
InChIKeyXEUXNUUWFIPJAH-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine 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 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine (CID 118419790) is 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine is Cc1cc(Cl)ncc1OCC(C)CC(C)(C)N.
What is the InChIKey of 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is XEUXNUUWFIPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(6-13(3,4)15)8-17-11-7-16-12(14)5-10(11)2/h5,7,9H,6,8,15H2,1-4H3.
What are the key properties of 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 256.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118419790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).