N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

C13H22N2S — CID 106313125

IUPACN'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)CC(N)c1ccc(C)cc1
InChIInChI=1S/C13H22N2S/c1-11-4-6-12(7-5-11)13(14)10-15(2)8-9-16-3/h4-7,13H,8-10,14H2,1-3H3
InChIKeyHRFQTUQCIPUHAE-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.29
Rot. Bonds6

About N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 106313125) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID106313125
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)CC(N)c1ccc(C)cc1
InChIInChI=1S/C13H22N2S/c1-11-4-6-12(7-5-11)13(14)10-15(2)8-9-16-3/h4-7,13H,8-10,14H2,1-3H3
InChIKeyHRFQTUQCIPUHAE-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695196
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 106313125) is N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(C)CC(N)c1ccc(C)cc1.
What is the InChIKey of N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is HRFQTUQCIPUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-4-6-12(7-5-11)13(14)10-15(2)8-9-16-3/h4-7,13H,8-10,14H2,1-3H3.
What are the key properties of N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 106313125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).