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

C16H20BrNS — CID 115849156

IUPAC2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1cc(C)ccc1C
InChIInChI=1S/C16H20BrNS/c1-4-18-15(10-16-14(17)7-8-19-16)13-9-11(2)5-6-12(13)3/h5-9,15,18H,4,10H2,1-3H3
InChIKeyDDTXEQBYQWFRQX-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.02
Rot. Bonds5

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

2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 115849156) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID115849156
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1cc(C)ccc1C
InChIInChI=1S/C16H20BrNS/c1-4-18-15(10-16-14(17)7-8-19-16)13-9-11(2)5-6-12(13)3/h5-9,15,18H,4,10H2,1-3H3
InChIKeyDDTXEQBYQWFRQX-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

N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
N-[2-(3-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81277471
1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019919

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine (CID 115849156) is 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1sccc1Br)c1cc(C)ccc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is DDTXEQBYQWFRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-4-18-15(10-16-14(17)7-8-19-16)13-9-11(2)5-6-12(13)3/h5-9,15,18H,4,10H2,1-3H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-(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 2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115849156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).