3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide

C13H20ClN3O — CID 106916712

IUPAC3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
SMILESCNCc1cc(Cl)ccc1N(C)CCC(=O)NC
InChIInChI=1S/C13H20ClN3O/c1-15-9-10-8-11(14)4-5-12(10)17(3)7-6-13(18)16-2/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyKGODIFAIKLDLDL-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.63
Rot. Bonds6

About 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide

3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide (PubChem CID 106916712) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
PubChem CID106916712
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
SMILESCNCc1cc(Cl)ccc1N(C)CCC(=O)NC
InChIInChI=1S/C13H20ClN3O/c1-15-9-10-8-11(14)4-5-12(10)17(3)7-6-13(18)16-2/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyKGODIFAIKLDLDL-UHFFFAOYSA-N
XLogP1.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437
3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106916789
4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
CID 114853635
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
3-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916871

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide?
The IUPAC name of 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide (CID 106916712) is 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide.
What is the SMILES notation for 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide?
The canonical SMILES for 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide is CNCc1cc(Cl)ccc1N(C)CCC(=O)NC.
What is the InChIKey of 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide?
The InChIKey is KGODIFAIKLDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-15-9-10-8-11(14)4-5-12(10)17(3)7-6-13(18)16-2/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide?
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide has a molecular weight of 269.78 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide is sourced from PubChem (CID 106916712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).