(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

C10H13ClF3NO2 — CID 171208716

IUPAC(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](C)N.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2;/h3-6H,14H2,1-2H3;1H/t6-;/m1./s1
InChIKeyUJQJGKFOJIMCHL-FYZOBXCZSA-N
MW271.67 g/mol
LogP3.04
Rot. Bonds3

About (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 171208716) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
PubChem CID171208716
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](C)N.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2;/h3-6H,14H2,1-2H3;1H/t6-;/m1./s1
InChIKeyUJQJGKFOJIMCHL-FYZOBXCZSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269353
(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
CID 171228299
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171236205
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171236237
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(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 (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride (CID 171208716) is (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride is COc1ccc(OC(F)(F)F)cc1[C@@H](C)N.Cl.
What is the InChIKey of (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is UJQJGKFOJIMCHL-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H12F3NO2.ClH/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2;/h3-6H,14H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 271.67 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171208716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).