2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide

C13H20ClN3O — CID 55180596

IUPAC2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)ccc1CN
InChIInChI=1S/C13H20ClN3O/c1-3-6-16-13(18)9-17(2)12-7-11(14)5-4-10(12)8-15/h4-5,7H,3,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyFHOMGPPJXCAIIG-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.76
Rot. Bonds6

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

2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide (PubChem CID 55180596) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
PubChem CID55180596
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)ccc1CN
InChIInChI=1S/C13H20ClN3O/c1-3-6-16-13(18)9-17(2)12-7-11(14)5-4-10(12)8-15/h4-5,7H,3,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyFHOMGPPJXCAIIG-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2-(4-carbamothioyl-2-fluoro-N-methylanilino)-N-propylacetamide
CID 61452418
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
2-(2-carbamothioyl-5-chloro-N-methylanilino)-N-ethylacetamide
CID 63092484
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide (CID 55180596) is 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(Cl)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide?
The InChIKey is FHOMGPPJXCAIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-6-16-13(18)9-17(2)12-7-11(14)5-4-10(12)8-15/h4-5,7H,3,6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide?
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide has a molecular weight of 269.78 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide is sourced from PubChem (CID 55180596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).