2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide

C13H21N3O — CID 62687003

IUPAC2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCN)cc1C
InChIInChI=1S/C13H21N3O/c1-10-4-5-12(8-11(10)2)15-13(17)9-16(3)7-6-14/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17)
InChIKeyRICYLBCKWUPTOH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.13
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 62687003) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID62687003
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCN)cc1C
InChIInChI=1S/C13H21N3O/c1-10-4-5-12(8-11(10)2)15-13(17)9-16(3)7-6-14/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17)
InChIKeyRICYLBCKWUPTOH-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
2-[2-aminoethyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 62688099
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 62687003) is 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CCN)cc1C.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is RICYLBCKWUPTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-5-12(8-11(10)2)15-13(17)9-16(3)7-6-14/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.13, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62687003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).