(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol

C17H18F3NO — CID 111521938

IUPAC(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-12(13-7-9-15(10-8-13)17(18,19)20)21-16(11-22)14-5-3-2-4-6-14/h2-10,12,16,21-22H,11H2,1H3/t12?,16-/m1/s1
InChIKeyTVIZYNVIVHMOLM-PVQCJRHBSA-N
MW309.33 g/mol
LogP4.09
Rot. Bonds5

About (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol

(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol (PubChem CID 111521938) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
PubChem CID111521938
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-12(13-7-9-15(10-8-13)17(18,19)20)21-16(11-22)14-5-3-2-4-6-14/h2-10,12,16,21-22H,11H2,1H3/t12?,16-/m1/s1
InChIKeyTVIZYNVIVHMOLM-PVQCJRHBSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
CID 103784026
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol (CID 111521938) is (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol is CC(N[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol?
The InChIKey is TVIZYNVIVHMOLM-PVQCJRHBSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12(13-7-9-15(10-8-13)17(18,19)20)21-16(11-22)14-5-3-2-4-6-14/h2-10,12,16,21-22H,11H2,1H3/t12?,16-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol?
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol has a molecular weight of 309.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol is sourced from PubChem (CID 111521938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).