2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine

C22H37Cl2NO2Si — CID 123321199

IUPAC2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1CC(C)(C)C1)c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C22H37Cl2NO2Si/c1-7-28(8-2,9-3)27-20(15-25-14-16-12-22(4,5)13-16)21-18(23)10-17(26-6)11-19(21)24/h10-11,16,20,25H,7-9,12-15H2,1-6H3
InChIKeyALQKOLIZFBQAIM-UHFFFAOYSA-N
MW446.54 g/mol
LogP7.09
Rot. Bonds11

About 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine

2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine (PubChem CID 123321199) has the molecular formula C22H37Cl2NO2Si and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine.

Molecular Properties

Compound Name2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
PubChem CID123321199
Molecular FormulaC22H37Cl2NO2Si
Molecular Weight446.54 g/mol
Exact Mass445.20
IUPAC Name2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1CC(C)(C)C1)c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C22H37Cl2NO2Si/c1-7-28(8-2,9-3)27-20(15-25-14-16-12-22(4,5)13-16)21-18(23)10-17(26-6)11-19(21)24/h10-11,16,20,25H,7-9,12-15H2,1-6H3
InChIKeyALQKOLIZFBQAIM-UHFFFAOYSA-N
XLogP7.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.54
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine?
The IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine (CID 123321199) is 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine.
What is the SMILES notation for 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine?
The canonical SMILES for 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine is CC[Si](CC)(CC)OC(CNCC1CC(C)(C)C1)c1c(Cl)cc(OC)cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine?
The InChIKey is ALQKOLIZFBQAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37Cl2NO2Si/c1-7-28(8-2,9-3)27-20(15-25-14-16-12-22(4,5)13-16)21-18(23)10-17(26-6)11-19(21)24/h10-11,16,20,25H,7-9,12-15H2,1-6H3.
What are the key properties of 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine?
2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine has a molecular weight of 446.54 g/mol, XLogP of 7.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine is sourced from PubChem (CID 123321199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).