2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine

C16H20BrNO2S — CID 105139259

IUPAC2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cccc(OC)c1OC
InChIInChI=1S/C16H20BrNO2S/c1-4-18-14(9-12-8-11(17)10-21-12)13-6-5-7-15(19-2)16(13)20-3/h5-8,10,14,18H,4,9H2,1-3H3
InChIKeyITZGYJHSVNSABG-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.42
Rot. Bonds7

About 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine

2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine (PubChem CID 105139259) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
PubChem CID105139259
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cccc(OC)c1OC
InChIInChI=1S/C16H20BrNO2S/c1-4-18-14(9-12-8-11(17)10-21-12)13-6-5-7-15(19-2)16(13)20-3/h5-8,10,14,18H,4,9H2,1-3H3
InChIKeyITZGYJHSVNSABG-UHFFFAOYSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
[2-(4-bromothiophen-2-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252540
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 107984903
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
N-[(4-bromothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807404
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine (CID 105139259) is 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine is CCNC(Cc1cc(Br)cs1)c1cccc(OC)c1OC.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine?
The InChIKey is ITZGYJHSVNSABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-4-18-14(9-12-8-11(17)10-21-12)13-6-5-7-15(19-2)16(13)20-3/h5-8,10,14,18H,4,9H2,1-3H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine?
2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine has a molecular weight of 370.31 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 105139259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).