2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine

C12H14Cl3NO2 — CID 106658164

IUPAC2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2c(Cl)cc(Cl)cc2Cl)CO1
InChIInChI=1S/C12H14Cl3NO2/c1-12(2)17-5-8(6-18-12)16-11-9(14)3-7(13)4-10(11)15/h3-4,8,16H,5-6H2,1-2H3
InChIKeyJTJJPENPZXEKOE-UHFFFAOYSA-N
MW310.61 g/mol
LogP4.21
Rot. Bonds2

About 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine (PubChem CID 106658164) has the molecular formula C12H14Cl3NO2 and a molecular weight of 310.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
PubChem CID106658164
Molecular FormulaC12H14Cl3NO2
Molecular Weight310.61 g/mol
Exact Mass309.01
IUPAC Name2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2c(Cl)cc(Cl)cc2Cl)CO1
InChIInChI=1S/C12H14Cl3NO2/c1-12(2)17-5-8(6-18-12)16-11-9(14)3-7(13)4-10(11)15/h3-4,8,16H,5-6H2,1-2H3
InChIKeyJTJJPENPZXEKOE-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine (CID 106658164) is 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine is CC1(C)OCC(Nc2c(Cl)cc(Cl)cc2Cl)CO1.
What is the InChIKey of 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine?
The InChIKey is JTJJPENPZXEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2/c1-12(2)17-5-8(6-18-12)16-11-9(14)3-7(13)4-10(11)15/h3-4,8,16H,5-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine has a molecular weight of 310.61 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).