2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide

C13H21N3O — CID 18508359

IUPAC2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCN(C)CCN(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-15(2)8-9-16(3)13(17)10-11-4-6-12(14)7-5-11/h4-7H,8-10,14H2,1-3H3
InChIKeyKGBCFVWWYXWTRK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.83
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide

2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide (PubChem CID 18508359) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
PubChem CID18508359
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCN(C)CCN(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-15(2)8-9-16(3)13(17)10-11-4-6-12(14)7-5-11/h4-7H,8-10,14H2,1-3H3
InChIKeyKGBCFVWWYXWTRK-UHFFFAOYSA-N
XLogP0.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820802
2-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 60946474
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide (CID 18508359) is 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide is CN(C)CCN(C)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The InChIKey is KGBCFVWWYXWTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)8-9-16(3)13(17)10-11-4-6-12(14)7-5-11/h4-7H,8-10,14H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 18508359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).