2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine

C14H14Br2ClNS — CID 43493168

IUPAC2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C14H14Br2ClNS/c1-2-18-12(11-8-13(15)19-14(11)16)7-9-3-5-10(17)6-4-9/h3-6,8,12,18H,2,7H2,1H3
InChIKeyRBJCUBZJUKOBAD-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.82
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine

2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine (PubChem CID 43493168) has the molecular formula C14H14Br2ClNS and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
PubChem CID43493168
Molecular FormulaC14H14Br2ClNS
Molecular Weight423.60 g/mol
Exact Mass420.89
IUPAC Name2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C14H14Br2ClNS/c1-2-18-12(11-8-13(15)19-14(11)16)7-9-3-5-10(17)6-4-9/h3-6,8,12,18H,2,7H2,1H3
InChIKeyRBJCUBZJUKOBAD-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 107967940
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 107968942
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 106762300
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
CID 107969331
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine (CID 43493168) is 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1)c1cc(Br)sc1Br.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The InChIKey is RBJCUBZJUKOBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2ClNS/c1-2-18-12(11-8-13(15)19-14(11)16)7-9-3-5-10(17)6-4-9/h3-6,8,12,18H,2,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine has a molecular weight of 423.60 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 43493168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).