(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride

C10H13ClF3NO2 — CID 171227759

IUPAC(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)CO)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-6-2-3-7(9(14)5-15)8(4-6)10(11,12)13;/h2-4,9,15H,5,14H2,1H3;1H/t9-;/m0./s1
InChIKeyGUKIGGDWTDDLDX-FVGYRXGTSA-N
MW271.67 g/mol
LogP2.13
Rot. Bonds3

About (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride

(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 171227759) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID171227759
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)CO)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-6-2-3-7(9(14)5-15)8(4-6)10(11,12)13;/h2-4,9,15H,5,14H2,1H3;1H/t9-;/m0./s1
InChIKeyGUKIGGDWTDDLDX-FVGYRXGTSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171227730
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758
(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263503
(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171269178

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 171227759) is (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride is COc1ccc([C@@H](N)CO)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is GUKIGGDWTDDLDX-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12F3NO2.ClH/c1-16-6-2-3-7(9(14)5-15)8(4-6)10(11,12)13;/h2-4,9,15H,5,14H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 271.67 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171227759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).