2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol

C23H28F3NO2 — CID 163294748

IUPAC2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol
SMILESOCCOC1(C(F)(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C23H28F3NO2/c24-23(25,26)22(29-16-15-28)13-11-21(12-14-22)27(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2
InChIKeyOMAFSCJIZFMFOV-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.94
Rot. Bonds8

About 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol

2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol (PubChem CID 163294748) has the molecular formula C23H28F3NO2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol
PubChem CID163294748
Molecular FormulaC23H28F3NO2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol
SMILESOCCOC1(C(F)(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C23H28F3NO2/c24-23(25,26)22(29-16-15-28)13-11-21(12-14-22)27(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2
InChIKeyOMAFSCJIZFMFOV-UHFFFAOYSA-N
XLogP4.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol (CID 163294748) is 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol is OCCOC1(C(F)(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol?
The InChIKey is OMAFSCJIZFMFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3NO2/c24-23(25,26)22(29-16-15-28)13-11-21(12-14-22)27(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2.
What are the key properties of 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol?
2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol has a molecular weight of 407.48 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibenzylamino)-1-(trifluoromethyl)cyclohexyl]oxyethanol is sourced from PubChem (CID 163294748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).