(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol

C16H15ClF3NO — CID 171265752

IUPAC(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
SMILESN[C@H](c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H15ClF3NO/c17-13-8-11(7-12(9-13)16(18,19)20)15(21)14(22)6-10-4-2-1-3-5-10/h1-5,7-9,14-15,22H,6,21H2/t14-,15+/m0/s1
InChIKeyPTNICDPTCCBBSF-LSDHHAIUSA-N
MW329.75 g/mol
LogP3.96
Rot. Bonds4

About (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol

(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol (PubChem CID 171265752) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
PubChem CID171265752
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
SMILESN[C@H](c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H15ClF3NO/c17-13-8-11(7-12(9-13)16(18,19)20)15(21)14(22)6-10-4-2-1-3-5-10/h1-5,7-9,14-15,22H,6,21H2/t14-,15+/m0/s1
InChIKeyPTNICDPTCCBBSF-LSDHHAIUSA-N
XLogP3.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171271426
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171271415
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171271413
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol (CID 171265752) is (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol is N[C@H](c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol?
The InChIKey is PTNICDPTCCBBSF-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c17-13-8-11(7-12(9-13)16(18,19)20)15(21)14(22)6-10-4-2-1-3-5-10/h1-5,7-9,14-15,22H,6,21H2/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol?
(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol has a molecular weight of 329.75 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol is sourced from PubChem (CID 171265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).