2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol

C14H27F3N2O — CID 134429499

IUPAC2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
SMILESCN(CCO)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1NC(C)(C)C
InChIInChI=1S/C14H27F3N2O/c1-13(2,3)18-11-6-5-10(14(15,16)17)9-12(11)19(4)7-8-20/h10-12,18,20H,5-9H2,1-4H3/t10-,11-,12-/m0/s1
InChIKeyFEYBNHDZASZEDV-SRVKXCTJSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds4

About 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol

2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol (PubChem CID 134429499) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
PubChem CID134429499
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
SMILESCN(CCO)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1NC(C)(C)C
InChIInChI=1S/C14H27F3N2O/c1-13(2,3)18-11-6-5-10(14(15,16)17)9-12(11)19(4)7-8-20/h10-12,18,20H,5-9H2,1-4H3/t10-,11-,12-/m0/s1
InChIKeyFEYBNHDZASZEDV-SRVKXCTJSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
The IUPAC name of 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol (CID 134429499) is 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol is CN(CCO)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1NC(C)(C)C.
What is the InChIKey of 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
The InChIKey is FEYBNHDZASZEDV-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-13(2,3)18-11-6-5-10(14(15,16)17)9-12(11)19(4)7-8-20/h10-12,18,20H,5-9H2,1-4H3/t10-,11-,12-/m0/s1.
What are the key properties of 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol is sourced from PubChem (CID 134429499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).