1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C14H13BrF3NS — CID 107167364

IUPAC1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C14H13BrF3NS/c1-9(13-6-11(15)8-20-13)19-7-10-4-2-3-5-12(10)14(16,17)18/h2-6,8-9,19H,7H2,1H3
InChIKeyZPGHDJOACZDQLA-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.38
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 107167364) has the molecular formula C14H13BrF3NS and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID107167364
Molecular FormulaC14H13BrF3NS
Molecular Weight364.23 g/mol
Exact Mass362.99
IUPAC Name1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C14H13BrF3NS/c1-9(13-6-11(15)8-20-13)19-7-10-4-2-3-5-12(10)14(16,17)18/h2-6,8-9,19H,7H2,1H3
InChIKeyZPGHDJOACZDQLA-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62842187
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 107353847
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107354244
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107354364
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107167746
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 107167364) is 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CC(NCc1ccccc1C(F)(F)F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is ZPGHDJOACZDQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NS/c1-9(13-6-11(15)8-20-13)19-7-10-4-2-3-5-12(10)14(16,17)18/h2-6,8-9,19H,7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 364.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107167364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).