1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

C14H23ClN2O — CID 79678939

IUPAC1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCc1cc(C)c(CCl)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C14H23ClN2O/c1-10-7-11(2)16-13(12(10)8-15)18-9-14(3,4)17(5)6/h7H,8-9H2,1-6H3
InChIKeyXLELUBQUEYIMPH-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.16
Rot. Bonds5

About 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79678939) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79678939
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCc1cc(C)c(CCl)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C14H23ClN2O/c1-10-7-11(2)16-13(12(10)8-15)18-9-14(3,4)17(5)6/h7H,8-9H2,1-6H3
InChIKeyXLELUBQUEYIMPH-UHFFFAOYSA-N
XLogP3.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (CID 79678939) is 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is Cc1cc(C)c(CCl)c(OCC(C)(C)N(C)C)n1.
What is the InChIKey of 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is XLELUBQUEYIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-10-7-11(2)16-13(12(10)8-15)18-9-14(3,4)17(5)6/h7H,8-9H2,1-6H3.
What are the key properties of 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 270.80 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79678939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).