1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine

C14H24N2S — CID 112657415

IUPAC1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCSCCN(C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C14H24N2S/c1-11-7-5-6-8-13(11)14(12(2)15)16(3)9-10-17-4/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyBHUSXVIMLYNHIL-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.68
Rot. Bonds6

About 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine

1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine (PubChem CID 112657415) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
PubChem CID112657415
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCSCCN(C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C14H24N2S/c1-11-7-5-6-8-13(11)14(12(2)15)16(3)9-10-17-4/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyBHUSXVIMLYNHIL-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
1-(2-bromophenyl)-1-N-methyl-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657300
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 55018087
1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018331
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657411
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine (CID 112657415) is 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine is CSCCN(C)C(c1ccccc1C)C(C)N.
What is the InChIKey of 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The InChIKey is BHUSXVIMLYNHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-7-5-6-8-13(11)14(12(2)15)16(3)9-10-17-4/h5-8,12,14H,9-10,15H2,1-4H3.
What are the key properties of 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine?
1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 112657415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).