2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol

C17H18F3NO — CID 782694

IUPAC2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16-8-6-15(7-9-16)13-21(10-11-22)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
InChIKeyOKHJSYAOKCNNIV-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.70
Rot. Bonds6

About 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol

2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol (PubChem CID 782694) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
PubChem CID782694
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16-8-6-15(7-9-16)13-21(10-11-22)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
InChIKeyOKHJSYAOKCNNIV-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol (CID 782694) is 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The InChIKey is OKHJSYAOKCNNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)16-8-6-15(7-9-16)13-21(10-11-22)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2.
What are the key properties of 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol has a molecular weight of 309.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 782694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).