4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

C14H24N2S — CID 103955055

IUPAC4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H24N2S/c1-5-13(10-17-4)16(3)14-8-6-12(7-9-14)11(2)15/h6-9,11,13H,5,10,15H2,1-4H3/t11-,13?/m1/s1
InChIKeyYLZPTROWAXXRJW-JTDNENJMSA-N
MW252.43 g/mol
LogP3.28
Rot. Bonds6

About 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (PubChem CID 103955055) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
PubChem CID103955055
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H24N2S/c1-5-13(10-17-4)16(3)14-8-6-12(7-9-14)11(2)15/h6-9,11,13H,5,10,15H2,1-4H3/t11-,13?/m1/s1
InChIKeyYLZPTROWAXXRJW-JTDNENJMSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanol
CID 112661746
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
CID 104552414
4-(2-aminobutyl)-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115988039
3-[4-[(1S)-1-aminoethyl]-N-methylanilino]butanenitrile
CID 63369284
3-[4-(1-aminoethyl)-N-methylanilino]butanenitrile
CID 63223161
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660564
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 112656935

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (CID 103955055) is 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is CCC(CSC)N(C)c1ccc([C@@H](C)N)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The InChIKey is YLZPTROWAXXRJW-JTDNENJMSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-13(10-17-4)16(3)14-8-6-12(7-9-14)11(2)15/h6-9,11,13H,5,10,15H2,1-4H3/t11-,13?/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline has a molecular weight of 252.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is sourced from PubChem (CID 103955055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).