2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline

C15H25ClN2S — CID 114862282

IUPAC2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
SMILESCSCCC(C)N(C)c1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C15H25ClN2S/c1-11(17)9-13-10-14(16)5-6-15(13)18(3)12(2)7-8-19-4/h5-6,10-12H,7-9,17H2,1-4H3
InChIKeyZRYLXULTEKJZDV-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.81
Rot. Bonds7

About 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline

2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline (PubChem CID 114862282) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
PubChem CID114862282
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
SMILESCSCCC(C)N(C)c1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C15H25ClN2S/c1-11(17)9-13-10-14(16)5-6-15(13)18(3)12(2)7-8-19-4/h5-6,10-12H,7-9,17H2,1-4H3
InChIKeyZRYLXULTEKJZDV-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(tert-butylamino)methyl]-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
CID 114853812
2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861570
4-chloro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657083
1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol
CID 146429258
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
5-chloro-2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114846814

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline (CID 114862282) is 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline is CSCCC(C)N(C)c1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline?
The InChIKey is ZRYLXULTEKJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-11(17)9-13-10-14(16)5-6-15(13)18(3)12(2)7-8-19-4/h5-6,10-12H,7-9,17H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline?
2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline has a molecular weight of 300.90 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline is sourced from PubChem (CID 114862282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).