(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

C16H17ClF3NO — CID 171261024

IUPAC(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-8-6-12(7-9-13)15(20)14(21)10-11-4-2-1-3-5-11;/h1-9,14-15,21H,10,20H2;1H/t14-,15+;/m0./s1
InChIKeyXIQIYDJHCCLQBA-LDXVYITESA-N
MW331.77 g/mol
LogP3.73
Rot. Bonds4

About (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (PubChem CID 171261024) has the molecular formula C16H17ClF3NO and a molecular weight of 331.77 g/mol. Its IUPAC name is (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
PubChem CID171261024
Molecular FormulaC16H17ClF3NO
Molecular Weight331.77 g/mol
Exact Mass331.10
IUPAC Name(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-8-6-12(7-9-13)15(20)14(21)10-11-4-2-1-3-5-11;/h1-9,14-15,21H,10,20H2;1H/t14-,15+;/m0./s1
InChIKeyXIQIYDJHCCLQBA-LDXVYITESA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride 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

(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
(1R,2S)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171265752
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171271426
(1R,2S)-1-amino-1-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263167
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
(1R,2S)-1-amino-1-(4-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260882
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (CID 171261024) is (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is Cl.N[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The InChIKey is XIQIYDJHCCLQBA-LDXVYITESA-N. The full InChI is InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-8-6-12(7-9-13)15(20)14(21)10-11-4-2-1-3-5-11;/h1-9,14-15,21H,10,20H2;1H/t14-,15+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 3.73, 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-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171261024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).