1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C14H14F3NS — CID 79988045

IUPAC1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccsc1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NS/c1-9-5-6-19-13(9)12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-7,12H,8,18H2,1H3
InChIKeyQWBDSBINFXFBAT-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 79988045) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID79988045
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccsc1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NS/c1-9-5-6-19-13(9)12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-7,12H,8,18H2,1H3
InChIKeyQWBDSBINFXFBAT-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016
[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235170
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293218
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 79988045) is 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is Cc1ccsc1C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QWBDSBINFXFBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-9-5-6-19-13(9)12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-7,12H,8,18H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 79988045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).