(2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

C17H18F3NO — CID 10662655

IUPAC(2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](N[C@@H](c1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-12(13-8-4-2-5-9-13)21-15(16(22)17(18,19)20)14-10-6-3-7-11-14/h2-12,15-16,21-22H,1H3/t12-,15+,16+/m1/s1
InChIKeyWZLPSUOLVIRTFF-KCXAZCMYSA-N
MW309.33 g/mol
LogP4.00
Rot. Bonds5

About (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

(2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 10662655) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID10662655
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](N[C@@H](c1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-12(13-8-4-2-5-9-13)21-15(16(22)17(18,19)20)14-10-6-3-7-11-14/h2-12,15-16,21-22H,1H3/t12-,15+,16+/m1/s1
InChIKeyWZLPSUOLVIRTFF-KCXAZCMYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol with MolForge

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Related Compounds

Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
2-(Benzylamino)-1-phenylethanol
CID 229746
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
CID 2974019
CID 2974019
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
2-(Benzylamino)-1,2-diphenylethanol
CID 222507

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 10662655) is (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is C[C@@H](N[C@@H](c1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is WZLPSUOLVIRTFF-KCXAZCMYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12(13-8-4-2-5-9-13)21-15(16(22)17(18,19)20)14-10-6-3-7-11-14/h2-12,15-16,21-22H,1H3/t12-,15+,16+/m1/s1.
What are the key properties of (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
(2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 309.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,1,1-trifluoro-3-phenyl-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 10662655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).