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

C11H15ClF3NO2 — CID 171271952

IUPAC(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1[C@H](N)[C@@H](C)O.Cl
InChIInChI=1S/C11H14F3NO2.ClH/c1-6(16)10(15)8-4-3-7(11(12,13)14)5-9(8)17-2;/h3-6,10,16H,15H2,1-2H3;1H/t6-,10-;/m1./s1
InChIKeyPEVZSRAZCAOEHM-MIWKYWLESA-N
MW285.69 g/mol
LogP2.52
Rot. Bonds3

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

(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (PubChem CID 171271952) has the molecular formula C11H15ClF3NO2 and a molecular weight of 285.69 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
PubChem CID171271952
Molecular FormulaC11H15ClF3NO2
Molecular Weight285.69 g/mol
Exact Mass285.07
IUPAC Name(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1[C@H](N)[C@@H](C)O.Cl
InChIInChI=1S/C11H14F3NO2.ClH/c1-6(16)10(15)8-4-3-7(11(12,13)14)5-9(8)17-2;/h3-6,10,16H,15H2,1-2H3;1H/t6-,10-;/m1./s1
InChIKeyPEVZSRAZCAOEHM-MIWKYWLESA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171266308
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (CID 171271952) is (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is COc1cc(C(F)(F)F)ccc1[C@H](N)[C@@H](C)O.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The InChIKey is PEVZSRAZCAOEHM-MIWKYWLESA-N. The full InChI is InChI=1S/C11H14F3NO2.ClH/c1-6(16)10(15)8-4-3-7(11(12,13)14)5-9(8)17-2;/h3-6,10,16H,15H2,1-2H3;1H/t6-,10-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride has a molecular weight of 285.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171271952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).