N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine

C20H28N2O2S — CID 46993363

IUPACN,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN(C)C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H28N2O2S/c1-17-7-5-6-8-19(17)16-22(14-13-21(2)3)15-18-9-11-20(12-10-18)25(4,23)24/h5-12H,13-16H2,1-4H3
InChIKeyCJFZAWWIVXOODD-UHFFFAOYSA-N
MW360.52 g/mol
LogP2.96
Rot. Bonds8

About N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine

N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine (PubChem CID 46993363) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine
PubChem CID46993363
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN(C)C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H28N2O2S/c1-17-7-5-6-8-19(17)16-22(14-13-21(2)3)15-18-9-11-20(12-10-18)25(4,23)24/h5-12H,13-16H2,1-4H3
InChIKeyCJFZAWWIVXOODD-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine (CID 46993363) is N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(CCN(C)C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is CJFZAWWIVXOODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-17-7-5-6-8-19(17)16-22(14-13-21(2)3)15-18-9-11-20(12-10-18)25(4,23)24/h5-12H,13-16H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 360.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(2-methylphenyl)methyl]-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46993363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).