2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C15H29F3N2O — CID 107487019

IUPAC2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNC1CCC(C)CC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-3-6-19-14-5-4-12(2)9-13(14)10-20(7-8-21)11-15(16,17)18/h12-14,19,21H,3-11H2,1-2H3
InChIKeyOKKLBLLJDLHHPV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.65
Rot. Bonds8

About 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107487019) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107487019
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNC1CCC(C)CC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-3-6-19-14-5-4-12(2)9-13(14)10-20(7-8-21)11-15(16,17)18/h12-14,19,21H,3-11H2,1-2H3
InChIKeyOKKLBLLJDLHHPV-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107487019) is 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCCNC1CCC(C)CC1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is OKKLBLLJDLHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-6-19-14-5-4-12(2)9-13(14)10-20(7-8-21)11-15(16,17)18/h12-14,19,21H,3-11H2,1-2H3.
What are the key properties of 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 310.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107487019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).