2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine

C15H17BrClNS — CID 115841070

IUPAC2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cccc(C)c1Cl
InChIInChI=1S/C15H17BrClNS/c1-3-18-13(9-11-7-8-14(16)19-11)12-6-4-5-10(2)15(12)17/h4-8,13,18H,3,9H2,1-2H3
InChIKeyVFYLETFSYNFJKV-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.37
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine

2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine (PubChem CID 115841070) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
PubChem CID115841070
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cccc(C)c1Cl
InChIInChI=1S/C15H17BrClNS/c1-3-18-13(9-11-7-8-14(16)19-11)12-6-4-5-10(2)15(12)17/h4-8,13,18H,3,9H2,1-2H3
InChIKeyVFYLETFSYNFJKV-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

N-[2-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]propan-1-amine
CID 115840802
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine (CID 115841070) is 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)s1)c1cccc(C)c1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine?
The InChIKey is VFYLETFSYNFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-3-18-13(9-11-7-8-14(16)19-11)12-6-4-5-10(2)15(12)17/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine?
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-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-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115841070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).