2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine

C20H28F3NO — CID 146423851

IUPAC2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C)C(F)(F)F
InChIInChI=1S/C20H28F3NO/c1-17-11-10-16(18(17,2)20(21,22)23)14-19(17,25-13-12-24(3)4)15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChIKeyXJAUMUWVKRVODP-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.85
Rot. Bonds5

About 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine

2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine (PubChem CID 146423851) has the molecular formula C20H28F3NO and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
PubChem CID146423851
Molecular FormulaC20H28F3NO
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C)C(F)(F)F
InChIInChI=1S/C20H28F3NO/c1-17-11-10-16(18(17,2)20(21,22)23)14-19(17,25-13-12-24(3)4)15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChIKeyXJAUMUWVKRVODP-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine (CID 146423851) is 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine is CN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C)C(F)(F)F.
What is the InChIKey of 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
The InChIKey is XJAUMUWVKRVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3NO/c1-17-11-10-16(18(17,2)20(21,22)23)14-19(17,25-13-12-24(3)4)15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3.
What are the key properties of 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine has a molecular weight of 355.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 146423851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).