4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline

C17H23BrN2S — CID 82955256

IUPAC4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)CCc1cccs1
InChIInChI=1S/C17H23BrN2S/c1-4-19-13(2)16-12-14(18)7-8-17(16)20(3)10-9-15-6-5-11-21-15/h5-8,11-13,19H,4,9-10H2,1-3H3
InChIKeyGFYQRVBYOKCRJK-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.86
Rot. Bonds7

About 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 82955256) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID82955256
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)CCc1cccs1
InChIInChI=1S/C17H23BrN2S/c1-4-19-13(2)16-12-14(18)7-8-17(16)20(3)10-9-15-6-5-11-21-15/h5-8,11-13,19H,4,9-10H2,1-3H3
InChIKeyGFYQRVBYOKCRJK-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]-2-methylpropanenitrile
CID 82968217
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 79476608
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 82955256) is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline is CCNC(C)c1cc(Br)ccc1N(C)CCc1cccs1.
What is the InChIKey of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is GFYQRVBYOKCRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-4-19-13(2)16-12-14(18)7-8-17(16)20(3)10-9-15-6-5-11-21-15/h5-8,11-13,19H,4,9-10H2,1-3H3.
What are the key properties of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 367.36 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 82955256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).