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

C13H11BrF3NS — CID 55095005

IUPAC2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1sccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11BrF3NS/c14-10-4-5-19-12(10)7-11(18)8-2-1-3-9(6-8)13(15,16)17/h1-6,11H,7,18H2
InChIKeyJRYFEVDDRUWODC-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.77
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 55095005) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID55095005
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1sccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11BrF3NS/c14-10-4-5-19-12(10)7-11(18)8-2-1-3-9(6-8)13(15,16)17/h1-6,11H,7,18H2
InChIKeyJRYFEVDDRUWODC-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Thiophen-3-yl)phenyl]methanamine
CID 19916941
(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
Phenyl(thiophen-2-yl)methanamine
CID 335613
2-(4-Bromophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062009
2-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062014
2-Thenylamine, alpha-(p-fluorobenzyl)-, hydrochloride
CID 3062018
2-Thenylamine, alpha-(m-trifluoromethylbenzyl)-, hydrochloride
CID 3062024
2-(3-Methylphenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062026
(3-Thien-2-ylphenyl)methylamine
CID 18525771
Phenyl(thiophen-2-yl)methanamine hydrochloride
CID 12280963
(4-Fluorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 132327483
1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43432705

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 55095005) is 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is NC(Cc1sccc1Br)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JRYFEVDDRUWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c14-10-4-5-19-12(10)7-11(18)8-2-1-3-9(6-8)13(15,16)17/h1-6,11H,7,18H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 350.20 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 55095005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).