(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride

C13H13ClF3NO2S — CID 171236225

IUPAC(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1cc(OC(F)(F)F)ccc1[C@@H](N)c1ccsc1.Cl
InChIInChI=1S/C13H12F3NO2S.ClH/c1-18-11-6-9(19-13(14,15)16)2-3-10(11)12(17)8-4-5-20-7-8;/h2-7,12H,17H2,1H3;1H/t12-;/m0./s1
InChIKeyAGPKKXYSPPWXJQ-YDALLXLXSA-N
MW339.77 g/mol
LogP4.13
Rot. Bonds4

About (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride

(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171236225) has the molecular formula C13H13ClF3NO2S and a molecular weight of 339.77 g/mol. Its IUPAC name is (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171236225
Molecular FormulaC13H13ClF3NO2S
Molecular Weight339.77 g/mol
Exact Mass339.03
IUPAC Name(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1cc(OC(F)(F)F)ccc1[C@@H](N)c1ccsc1.Cl
InChIInChI=1S/C13H12F3NO2S.ClH/c1-18-11-6-9(19-13(14,15)16)2-3-10(11)12(17)8-4-5-20-7-8;/h2-7,12H,17H2,1H3;1H/t12-;/m0./s1
InChIKeyAGPKKXYSPPWXJQ-YDALLXLXSA-N
XLogP4.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171216256
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
(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
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171236205
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266

Frequently Asked Questions

What is the IUPAC name of (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride (CID 171236225) is (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride is COc1cc(OC(F)(F)F)ccc1[C@@H](N)c1ccsc1.Cl.
What is the InChIKey of (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is AGPKKXYSPPWXJQ-YDALLXLXSA-N. The full InChI is InChI=1S/C13H12F3NO2S.ClH/c1-18-11-6-9(19-13(14,15)16)2-3-10(11)12(17)8-4-5-20-7-8;/h2-7,12H,17H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 339.77 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171236225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).