3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide

C14H22ClN3O — CID 106916853

IUPAC3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
SMILESCNCc1c(Cl)cccc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C14H22ClN3O/c1-10(14(19)17-3)9-18(4)13-7-5-6-12(15)11(13)8-16-2/h5-7,10,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyIACSBTMLCZDSGG-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.88
Rot. Bonds6

About 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide

3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide (PubChem CID 106916853) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
PubChem CID106916853
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
SMILESCNCc1c(Cl)cccc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C14H22ClN3O/c1-10(14(19)17-3)9-18(4)13-7-5-6-12(15)11(13)8-16-2/h5-7,10,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyIACSBTMLCZDSGG-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide 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

3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
3-[2-chloro-4-(hydroxymethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916419
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 43569413
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide (CID 106916853) is 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide is CNCc1c(Cl)cccc1N(C)CC(C)C(=O)NC.
What is the InChIKey of 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide?
The InChIKey is IACSBTMLCZDSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(14(19)17-3)9-18(4)13-7-5-6-12(15)11(13)8-16-2/h5-7,10,16H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide?
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide has a molecular weight of 283.80 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).