N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine

C12H20N2S — CID 112657406

IUPACN-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1ccccc1
InChIInChI=1S/C12H20N2S/c1-14(8-9-15-2)12(10-13)11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3
InChIKeyRUALJLCWIJNTCP-UHFFFAOYSA-N
MW224.37 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine

N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine (PubChem CID 112657406) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
PubChem CID112657406
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1ccccc1
InChIInChI=1S/C12H20N2S/c1-14(8-9-15-2)12(10-13)11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3
InChIKeyRUALJLCWIJNTCP-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657342
1-(4-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657404
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658133
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658329
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
N-methyl-N-(3-methylsulfanylpropyl)-1-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 114236746
N-methyl-1-(3-methylphenyl)-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114236533
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105405164

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine (CID 112657406) is N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine is CSCCN(C)C(CN)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine?
The InChIKey is RUALJLCWIJNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-14(8-9-15-2)12(10-13)11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine?
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine has a molecular weight of 224.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 112657406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).