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

C16H16F3NO2 — CID 171269826

IUPAC(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
SMILESN[C@@H](c1ccccc1OC(F)(F)F)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)22-14-9-5-4-8-12(14)15(20)13(21)10-11-6-2-1-3-7-11/h1-9,13,15,21H,10,20H2/t13-,15+/m1/s1
InChIKeyPEXGUDJWJVRIFI-HIFRSBDPSA-N
MW311.30 g/mol
LogP3.19
Rot. Bonds5

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

(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 171269826) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID171269826
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
SMILESN[C@@H](c1ccccc1OC(F)(F)F)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)22-14-9-5-4-8-12(14)15(20)13(21)10-11-6-2-1-3-7-11/h1-9,13,15,21H,10,20H2/t13-,15+/m1/s1
InChIKeyPEXGUDJWJVRIFI-HIFRSBDPSA-N
XLogP3.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171263568
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161762
(1R,2S)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171266117
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171269091
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263417
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-6-methoxyphenol;hydrochloride
CID 171270288
(1R,2S)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263833
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261422
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol (CID 171269826) is (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol is N[C@@H](c1ccccc1OC(F)(F)F)[C@H](O)Cc1ccccc1.
What is the InChIKey of (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is PEXGUDJWJVRIFI-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H16F3NO2/c17-16(18,19)22-14-9-5-4-8-12(14)15(20)13(21)10-11-6-2-1-3-7-11/h1-9,13,15,21H,10,20H2/t13-,15+/m1/s1.
What are the key properties of (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol?
(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 311.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 171269826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).