1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C14H14F3NS — CID 62842187

IUPAC1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)c1ccsc1
InChIInChI=1S/C14H14F3NS/c1-10(12-6-7-19-9-12)18-8-11-4-2-3-5-13(11)14(15,16)17/h2-7,9-10,18H,8H2,1H3
InChIKeyZMQZEPGASWINAF-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.62
Rot. Bonds4

About 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 62842187) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID62842187
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)c1ccsc1
InChIInChI=1S/C14H14F3NS/c1-10(12-6-7-19-9-12)18-8-11-4-2-3-5-13(11)14(15,16)17/h2-7,9-10,18H,8H2,1H3
InChIKeyZMQZEPGASWINAF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107167364
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 79984304
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
CID 103367252
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 64508623
2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
CID 70834223

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 62842187) is 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CC(NCc1ccccc1C(F)(F)F)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is ZMQZEPGASWINAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-10(12-6-7-19-9-12)18-8-11-4-2-3-5-13(11)14(15,16)17/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62842187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).