(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride

C13H19ClF3NO2 — CID 171161762

IUPAC(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
SMILESCC(C)C[C@@H](O)[C@@H](N)c1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C13H18F3NO2.ClH/c1-8(2)7-10(18)12(17)9-5-3-4-6-11(9)19-13(14,15)16;/h3-6,8,10,12,18H,7,17H2,1-2H3;1H/t10-,12+;/m1./s1
InChIKeyRAJSRFGHGIFFAV-IYJPBCIQSA-N
MW313.75 g/mol
LogP3.41
Rot. Bonds5

About (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride

(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride (PubChem CID 171161762) has the molecular formula C13H19ClF3NO2 and a molecular weight of 313.75 g/mol. Its IUPAC name is (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
PubChem CID171161762
Molecular FormulaC13H19ClF3NO2
Molecular Weight313.75 g/mol
Exact Mass313.11
IUPAC Name(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
SMILESCC(C)C[C@@H](O)[C@@H](N)c1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C13H18F3NO2.ClH/c1-8(2)7-10(18)12(17)9-5-3-4-6-11(9)19-13(14,15)16;/h3-6,8,10,12,18H,7,17H2,1-2H3;1H/t10-,12+;/m1./s1
InChIKeyRAJSRFGHGIFFAV-IYJPBCIQSA-N
XLogP3.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-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

2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 62762382
(1R,2S)-1-amino-5-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263629
(1R,2S)-1-amino-4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171160416
(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269826
2-[(1S,2R)-1-amino-2-hydroxy-4-methylpentyl]phenol;hydrochloride
CID 171162441
ethyl (3R)-3-amino-2-fluoro-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243069
(1S,2R)-1-amino-3-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171269296
2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol
CID 165345159
2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720833
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride (CID 171161762) is (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride is CC(C)C[C@@H](O)[C@@H](N)c1ccccc1OC(F)(F)F.Cl.
What is the InChIKey of (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride?
The InChIKey is RAJSRFGHGIFFAV-IYJPBCIQSA-N. The full InChI is InChI=1S/C13H18F3NO2.ClH/c1-8(2)7-10(18)12(17)9-5-3-4-6-11(9)19-13(14,15)16;/h3-6,8,10,12,18H,7,17H2,1-2H3;1H/t10-,12+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride?
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride has a molecular weight of 313.75 g/mol, XLogP of 3.41, 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-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride is sourced from PubChem (CID 171161762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).