3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide

C12H18ClN3O — CID 106914437

IUPAC3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)ccc1CN
InChIInChI=1S/C12H18ClN3O/c1-15-12(17)5-6-16(2)11-7-10(13)4-3-9(11)8-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyDAABZCIXRDNGLN-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.37
Rot. Bonds5

About 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide

3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide (PubChem CID 106914437) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
PubChem CID106914437
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)ccc1CN
InChIInChI=1S/C12H18ClN3O/c1-15-12(17)5-6-16(2)11-7-10(13)4-3-9(11)8-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyDAABZCIXRDNGLN-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106916789
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
CID 106914418
3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914433
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide (CID 106914437) is 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(Cl)ccc1CN.
What is the InChIKey of 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide?
The InChIKey is DAABZCIXRDNGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-15-12(17)5-6-16(2)11-7-10(13)4-3-9(11)8-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide?
3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide is sourced from PubChem (CID 106914437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).