3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine

C17H20ClNO — CID 63446366

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
SMILESCc1cc(C)c(CCl)c(Oc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H20ClNO/c1-11(2)14-5-7-15(8-6-14)20-17-16(10-18)12(3)9-13(4)19-17/h5-9,11H,10H2,1-4H3
InChIKeyKWLKUGZAQUDLKG-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.35
Rot. Bonds4

About 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine (PubChem CID 63446366) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
PubChem CID63446366
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
SMILESCc1cc(C)c(CCl)c(Oc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H20ClNO/c1-11(2)14-5-7-15(8-6-14)20-17-16(10-18)12(3)9-13(4)19-17/h5-9,11H,10H2,1-4H3
InChIKeyKWLKUGZAQUDLKG-UHFFFAOYSA-N
XLogP5.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine 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

3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
CID 61176530
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66275486
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256704
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79678939
[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 61175958

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine (CID 63446366) is 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine is Cc1cc(C)c(CCl)c(Oc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine?
The InChIKey is KWLKUGZAQUDLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11(2)14-5-7-15(8-6-14)20-17-16(10-18)12(3)9-13(4)19-17/h5-9,11H,10H2,1-4H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine has a molecular weight of 289.81 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 63446366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).