N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H13BrF3NS — CID 43223829

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cc(Br)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13BrF3NS/c1-9(19-7-13-6-12(15)8-20-13)10-3-2-4-11(5-10)14(16,17)18/h2-6,8-9,19H,7H2,1H3
InChIKeyVOSKNMCZODUMFE-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.38
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43223829) has the molecular formula C14H13BrF3NS and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID43223829
Molecular FormulaC14H13BrF3NS
Molecular Weight364.23 g/mol
Exact Mass362.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cc(Br)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13BrF3NS/c1-9(19-7-13-6-12(15)8-20-13)10-3-2-4-11(5-10)14(16,17)18/h2-6,8-9,19H,7H2,1H3
InChIKeyVOSKNMCZODUMFE-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

Analyze N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
2-[(4-bromothiophen-2-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60969473
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
N-[(4-bromothiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 60961440
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433745
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 43223829) is N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NCc1cc(Br)cs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VOSKNMCZODUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NS/c1-9(19-7-13-6-12(15)8-20-13)10-3-2-4-11(5-10)14(16,17)18/h2-6,8-9,19H,7H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]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 N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43223829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).