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

C15H16BrClFNS — CID 107891675

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H16BrClFNS/c1-3-19-13(14-6-9(2)15(16)20-14)8-10-4-5-11(17)12(18)7-10/h4-7,13,19H,3,8H2,1-2H3
InChIKeyRWVJNTCYZZPMLM-UHFFFAOYSA-N
MW376.72 g/mol
LogP5.50
Rot. Bonds5

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

1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine (PubChem CID 107891675) has the molecular formula C15H16BrClFNS and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
PubChem CID107891675
Molecular FormulaC15H16BrClFNS
Molecular Weight376.72 g/mol
Exact Mass374.99
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H16BrClFNS/c1-3-19-13(14-6-9(2)15(16)20-14)8-10-4-5-11(17)12(18)7-10/h4-7,13,19H,3,8H2,1-2H3
InChIKeyRWVJNTCYZZPMLM-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

N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 107892569
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103043163
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115863981
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029716
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 80531226
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 102828563
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103053247

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine (CID 107891675) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The InChIKey is RWVJNTCYZZPMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFNS/c1-3-19-13(14-6-9(2)15(16)20-14)8-10-4-5-11(17)12(18)7-10/h4-7,13,19H,3,8H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-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 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107891675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).