2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H16ClF3N2O — CID 107478830

IUPAC2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCC(c1ccccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16ClF3N2O/c13-10-4-2-1-3-9(10)11(7-17)18(5-6-19)8-12(14,15)16/h1-4,11,19H,5-8,17H2
InChIKeyFKCOSQVJQNDVJE-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.20
Rot. Bonds6

About 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478830) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478830
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCC(c1ccccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16ClF3N2O/c13-10-4-2-1-3-9(10)11(7-17)18(5-6-19)8-12(14,15)16/h1-4,11,19H,5-8,17H2
InChIKeyFKCOSQVJQNDVJE-UHFFFAOYSA-N
XLogP2.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478830) is 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol is NCC(c1ccccc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FKCOSQVJQNDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c13-10-4-2-1-3-9(10)11(7-17)18(5-6-19)8-12(14,15)16/h1-4,11,19H,5-8,17H2.
What are the key properties of 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.72 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).