2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol

C13H25F3N2O — CID 107478920

IUPAC2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC1CCC(CN)C(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-2-10-3-4-11(8-17)12(7-10)18(5-6-19)9-13(14,15)16/h10-12,19H,2-9,17H2,1H3
InChIKeyCMRDBZQWLBZRDG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.00
Rot. Bonds6

About 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478920) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478920
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC1CCC(CN)C(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-2-10-3-4-11(8-17)12(7-10)18(5-6-19)9-13(14,15)16/h10-12,19H,2-9,17H2,1H3
InChIKeyCMRDBZQWLBZRDG-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478920) is 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCC1CCC(CN)C(N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CMRDBZQWLBZRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-10-3-4-11(8-17)12(7-10)18(5-6-19)9-13(14,15)16/h10-12,19H,2-9,17H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).