N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C14H24N2O2S — CID 62558392

IUPACN'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCc1ccccc1CN(C)CCNCCS(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-13-6-4-5-7-14(13)12-16(2)10-8-15-9-11-19(3,17)18/h4-7,15H,8-12H2,1-3H3
InChIKeyVOPFPLQXYFPZOB-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.06
Rot. Bonds8

About N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine

N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 62558392) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID62558392
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCc1ccccc1CN(C)CCNCCS(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-13-6-4-5-7-14(13)12-16(2)10-8-15-9-11-19(3,17)18/h4-7,15H,8-12H2,1-3H3
InChIKeyVOPFPLQXYFPZOB-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557176
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556651
N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62574258
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
N-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 63502577
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62573370
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701
N'-[(2-bromo-3-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107982204
3-[methyl-[methyl-[(2-methylphenyl)methyl]sulfamoyl]amino]propanenitrile
CID 134060157
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 62558392) is N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine is Cc1ccccc1CN(C)CCNCCS(C)(=O)=O.
What is the InChIKey of N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is VOPFPLQXYFPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-13-6-4-5-7-14(13)12-16(2)10-8-15-9-11-19(3,17)18/h4-7,15H,8-12H2,1-3H3.
What are the key properties of N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 284.42 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62558392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).