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

C20H25F6NO — CID 146423815

IUPACN,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SMILESCN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H25F6NO/c1-16-10-9-15(18(16,19(21,22)23)20(24,25)26)13-17(16,28-12-11-27(2)3)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyRQUNTMZWRBDBSV-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.39
Rot. Bonds5

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

N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine (PubChem CID 146423815) has the molecular formula C20H25F6NO and a molecular weight of 409.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
PubChem CID146423815
Molecular FormulaC20H25F6NO
Molecular Weight409.41 g/mol
Exact Mass409.18
IUPAC NameN,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SMILESCN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H25F6NO/c1-16-10-9-15(18(16,19(21,22)23)20(24,25)26)13-17(16,28-12-11-27(2)3)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyRQUNTMZWRBDBSV-UHFFFAOYSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine (CID 146423815) is N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine is CN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The InChIKey is RQUNTMZWRBDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F6NO/c1-16-10-9-15(18(16,19(21,22)23)20(24,25)26)13-17(16,28-12-11-27(2)3)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine has a molecular weight of 409.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine is sourced from PubChem (CID 146423815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).