5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline

C17H23BrN2S — CID 79488935

IUPAC5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
SMILESCCCNCc1ccc(Br)cc1N(C)CCc1cccs1
InChIInChI=1S/C17H23BrN2S/c1-3-9-19-13-14-6-7-15(18)12-17(14)20(2)10-8-16-5-4-11-21-16/h4-7,11-12,19H,3,8-10,13H2,1-2H3
InChIKeyGICNJOLUKWZYCR-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.69
Rot. Bonds8

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

5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 79488935) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
PubChem CID79488935
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC Name5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
SMILESCCCNCc1ccc(Br)cc1N(C)CCc1cccs1
InChIInChI=1S/C17H23BrN2S/c1-3-9-19-13-14-6-7-15(18)12-17(14)20(2)10-8-16-5-4-11-21-16/h4-7,11-12,19H,3,8-10,13H2,1-2H3
InChIKeyGICNJOLUKWZYCR-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
N,3-dimethyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488923
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 114852491
5-bromo-2-(bromomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107080216
5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63551371
N-[[5-bromo-3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115961325
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82955256
N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494518
5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
CID 43571422

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline (CID 79488935) is 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline is CCCNCc1ccc(Br)cc1N(C)CCc1cccs1.
What is the InChIKey of 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is GICNJOLUKWZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-3-9-19-13-14-6-7-15(18)12-17(14)20(2)10-8-16-5-4-11-21-16/h4-7,11-12,19H,3,8-10,13H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 367.36 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 79488935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).