2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide

C15H24ClN3O — CID 114849652

IUPAC2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CNC
InChIInChI=1S/C15H24ClN3O/c1-5-8-19(11-15(20)18(3)4)14-9-13(16)7-6-12(14)10-17-2/h6-7,9,17H,5,8,10-11H2,1-4H3
InChIKeyODJRCGOIVRZVTM-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.36
Rot. Bonds7

About 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide

2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide (PubChem CID 114849652) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
PubChem CID114849652
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CNC
InChIInChI=1S/C15H24ClN3O/c1-5-8-19(11-15(20)18(3)4)14-9-13(16)7-6-12(14)10-17-2/h6-7,9,17H,5,8,10-11H2,1-4H3
InChIKeyODJRCGOIVRZVTM-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-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide 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-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406
2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
CID 54990395
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
2-(3-chloro-2-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 62495381

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide (CID 114849652) is 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CNC.
What is the InChIKey of 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide?
The InChIKey is ODJRCGOIVRZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-8-19(11-15(20)18(3)4)14-9-13(16)7-6-12(14)10-17-2/h6-7,9,17H,5,8,10-11H2,1-4H3.
What are the key properties of 2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide?
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide 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-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 114849652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).