2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine

C15H16BrClFNS — CID 103406816

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1scc(C)c1Cl
InChIInChI=1S/C15H16BrClFNS/c1-3-19-13(15-14(17)9(2)8-20-15)6-10-4-11(16)7-12(18)5-10/h4-5,7-8,13,19H,3,6H2,1-2H3
InChIKeyVLSMLUCKPHMYRV-UHFFFAOYSA-N
MW376.72 g/mol
LogP5.50
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine

2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (PubChem CID 103406816) has the molecular formula C15H16BrClFNS and a molecular weight of 376.72 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
PubChem CID103406816
Molecular FormulaC15H16BrClFNS
Molecular Weight376.72 g/mol
Exact Mass374.99
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1scc(C)c1Cl
InChIInChI=1S/C15H16BrClFNS/c1-3-19-13(15-14(17)9(2)8-20-15)6-10-4-11(16)7-12(18)5-10/h4-5,7-8,13,19H,3,6H2,1-2H3
InChIKeyVLSMLUCKPHMYRV-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.72
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105015627
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (CID 103406816) is 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(Br)c1)c1scc(C)c1Cl.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is VLSMLUCKPHMYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFNS/c1-3-19-13(15-14(17)9(2)8-20-15)6-10-4-11(16)7-12(18)5-10/h4-5,7-8,13,19H,3,6H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 376.72 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103406816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).