2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C14H27F3N2O — CID 107486783

IUPAC2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNC1CCC(C)CC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-3-18-13-5-4-11(2)8-12(13)9-19(6-7-20)10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3
InChIKeyQXZJCTZPGUDICW-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.26
Rot. Bonds7

About 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486783) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486783
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNC1CCC(C)CC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-3-18-13-5-4-11(2)8-12(13)9-19(6-7-20)10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3
InChIKeyQXZJCTZPGUDICW-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486783) is 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCNC1CCC(C)CC1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is QXZJCTZPGUDICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-18-13-5-4-11(2)8-12(13)9-19(6-7-20)10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3.
What are the key properties of 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).