2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol

C9H17F3N2O — CID 157419141

IUPAC2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESNC1CCCC(C(F)(F)F)C1NCCO
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)6-2-1-3-7(13)8(6)14-4-5-15/h6-8,14-15H,1-5,13H2
InChIKeyBPEWQKXHOPEOIY-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.63
Rot. Bonds3

About 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol

2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol (PubChem CID 157419141) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol
PubChem CID157419141
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESNC1CCCC(C(F)(F)F)C1NCCO
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)6-2-1-3-7(13)8(6)14-4-5-15/h6-8,14-15H,1-5,13H2
InChIKeyBPEWQKXHOPEOIY-UHFFFAOYSA-N
XLogP0.63
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol (CID 157419141) is 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol is NC1CCCC(C(F)(F)F)C1NCCO.
What is the InChIKey of 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol?
The InChIKey is BPEWQKXHOPEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)6-2-1-3-7(13)8(6)14-4-5-15/h6-8,14-15H,1-5,13H2.
What are the key properties of 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol?
2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol has a molecular weight of 226.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 157419141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).