2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

C13H20ClN3O — CID 62687923

IUPAC2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CCN)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-9-6-10(2)13(11(14)7-9)16-12(18)8-17(3)5-4-15/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyMTUBTKRBSPIYKH-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 62687923) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID62687923
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CCN)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-9-6-10(2)13(11(14)7-9)16-12(18)8-17(3)5-4-15/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyMTUBTKRBSPIYKH-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9289324
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116652517
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 62688637
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 62687923) is 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)CCN)c(Cl)c1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is MTUBTKRBSPIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-6-10(2)13(11(14)7-9)16-12(18)8-17(3)5-4-15/h6-7H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 62687923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).