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

C10H13ClF3NO3 — CID 171236237

IUPAC(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCOc1cc(OC(F)(F)F)ccc1[C@@H](N)CO.Cl
InChIInChI=1S/C10H12F3NO3.ClH/c1-16-9-4-6(17-10(11,12)13)2-3-7(9)8(14)5-15;/h2-4,8,15H,5,14H2,1H3;1H/t8-;/m0./s1
InChIKeyJHJGJECNBRVBDD-QRPNPIFTSA-N
MW287.67 g/mol
LogP2.01
Rot. Bonds4

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

(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 171236237) has the molecular formula C10H13ClF3NO3 and a molecular weight of 287.67 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID171236237
Molecular FormulaC10H13ClF3NO3
Molecular Weight287.67 g/mol
Exact Mass287.05
IUPAC Name(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCOc1cc(OC(F)(F)F)ccc1[C@@H](N)CO.Cl
InChIInChI=1S/C10H12F3NO3.ClH/c1-16-9-4-6(17-10(11,12)13)2-3-7(9)8(14)5-15;/h2-4,8,15H,5,14H2,1H3;1H/t8-;/m0./s1
InChIKeyJHJGJECNBRVBDD-QRPNPIFTSA-N
XLogP2.01
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171236205
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171236189
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171216555
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251915
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171216573
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine
CID 171216572
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpentan-2-ol
CID 171266279
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-2-ol
CID 171271935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride (CID 171236237) is (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride is COc1cc(OC(F)(F)F)ccc1[C@@H](N)CO.Cl.
What is the InChIKey of (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is JHJGJECNBRVBDD-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H12F3NO3.ClH/c1-16-9-4-6(17-10(11,12)13)2-3-7(9)8(14)5-15;/h2-4,8,15H,5,14H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 287.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171236237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).