2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline

C15H19BrN2S — CID 82968110

IUPAC2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(C)CCc1cccs1
InChIInChI=1S/C15H19BrN2S/c1-11(17)14-6-5-12(16)10-15(14)18(2)8-7-13-4-3-9-19-13/h3-6,9-11H,7-8,17H2,1-2H3
InChIKeyZUMLMQXZRWZJOI-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.21
Rot. Bonds5

About 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline

2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 82968110) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID82968110
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(C)CCc1cccs1
InChIInChI=1S/C15H19BrN2S/c1-11(17)14-6-5-12(16)10-15(14)18(2)8-7-13-4-3-9-19-13/h3-6,9-11H,7-8,17H2,1-2H3
InChIKeyZUMLMQXZRWZJOI-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82955256
(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 102947209
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
5-bromo-2-(bromomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107080216
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 82968110) is 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline is CC(N)c1ccc(Br)cc1N(C)CCc1cccs1.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is ZUMLMQXZRWZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(17)14-6-5-12(16)10-15(14)18(2)8-7-13-4-3-9-19-13/h3-6,9-11H,7-8,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 339.30 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 82968110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).