1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine

C16H20BrNS — CID 105010523

IUPAC1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1cscc1Br
InChIInChI=1S/C16H20BrNS/c1-4-18-16(14-9-19-10-15(14)17)8-13-7-11(2)5-6-12(13)3/h5-7,9-10,16,18H,4,8H2,1-3H3
InChIKeyYZRAAQZSSDWOGD-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.02
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine

1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 105010523) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID105010523
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1cscc1Br
InChIInChI=1S/C16H20BrNS/c1-4-18-16(14-9-19-10-15(14)17)8-13-7-11(2)5-6-12(13)3/h5-7,9-10,16,18H,4,8H2,1-3H3
InChIKeyYZRAAQZSSDWOGD-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 102828833

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine (CID 105010523) is 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(C)ccc1C)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is YZRAAQZSSDWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-4-18-16(14-9-19-10-15(14)17)8-13-7-11(2)5-6-12(13)3/h5-7,9-10,16,18H,4,8H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine has a molecular weight of 338.31 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105010523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).