2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine

C15H17BrClNS — CID 107102242

IUPAC2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1cccc(Cl)c1C
InChIInChI=1S/C15H17BrClNS/c1-3-18-14(9-15-12(16)7-8-19-15)11-5-4-6-13(17)10(11)2/h4-8,14,18H,3,9H2,1-2H3
InChIKeyGBHKVYRWGUGIKJ-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.37
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine

2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine (PubChem CID 107102242) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
PubChem CID107102242
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1cccc(Cl)c1C
InChIInChI=1S/C15H17BrClNS/c1-3-18-14(9-15-12(16)7-8-19-15)11-5-4-6-13(17)10(11)2/h4-8,14,18H,3,9H2,1-2H3
InChIKeyGBHKVYRWGUGIKJ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
[2-(3-bromothiophen-2-yl)-1-(2,3-dichlorophenyl)ethyl]hydrazine
CID 105299508
2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
CID 115849041
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
[1-(3-bromo-2-chlorophenyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299590
N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115849219
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine (CID 107102242) is 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine is CCNC(Cc1sccc1Br)c1cccc(Cl)c1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine?
The InChIKey is GBHKVYRWGUGIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-3-18-14(9-15-12(16)7-8-19-15)11-5-4-6-13(17)10(11)2/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine has a molecular weight of 358.73 g/mol, XLogP of 5.37, 5 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-chloro-2-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 107102242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).