5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline

C15H19ClN2S — CID 114852491

IUPAC5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
SMILESCNCc1ccc(Cl)cc1N(C)CCc1cccs1
InChIInChI=1S/C15H19ClN2S/c1-17-11-12-5-6-13(16)10-15(12)18(2)8-7-14-4-3-9-19-14/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyKFYSIGAZTQZWDC-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.80
Rot. Bonds6

About 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline

5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 114852491) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
PubChem CID114852491
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
SMILESCNCc1ccc(Cl)cc1N(C)CCc1cccs1
InChIInChI=1S/C15H19ClN2S/c1-17-11-12-5-6-13(16)10-15(12)18(2)8-7-14-4-3-9-19-14/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyKFYSIGAZTQZWDC-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935
4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
3-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494133
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine
CID 79494312
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline (CID 114852491) is 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline is CNCc1ccc(Cl)cc1N(C)CCc1cccs1.
What is the InChIKey of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is KFYSIGAZTQZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-17-11-12-5-6-13(16)10-15(12)18(2)8-7-14-4-3-9-19-14/h3-6,9-10,17H,7-8,11H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline?
5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 294.85 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 114852491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).