2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide

C15H24ClN3O — CID 114849406

IUPAC2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(Cl)cc1CNC
InChIInChI=1S/C15H24ClN3O/c1-5-19(6-2)15(20)11-18(4)14-8-7-13(16)9-12(14)10-17-3/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyIEFWDLGPASRRCO-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.36
Rot. Bonds7

About 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide

2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide (PubChem CID 114849406) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
PubChem CID114849406
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(Cl)cc1CNC
InChIInChI=1S/C15H24ClN3O/c1-5-19(6-2)15(20)11-18(4)14-8-7-13(16)9-12(14)10-17-3/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyIEFWDLGPASRRCO-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N,N-dimethylacetamide
CID 114848175
4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
CID 114853635
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide (CID 114849406) is 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1ccc(Cl)cc1CNC.
What is the InChIKey of 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide?
The InChIKey is IEFWDLGPASRRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-19(6-2)15(20)11-18(4)14-8-7-13(16)9-12(14)10-17-3/h7-9,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide?
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide has a molecular weight of 297.83 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide is sourced from PubChem (CID 114849406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).