2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide

C13H20FN3O — CID 103590092

IUPAC2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(C)c(F)cc1N
InChIInChI=1S/C13H20FN3O/c1-4-5-16-13(18)8-17(3)12-6-9(2)10(14)7-11(12)15/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyLRBIETBLBYNKDT-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.68
Rot. Bonds5

About 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide

2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide (PubChem CID 103590092) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
PubChem CID103590092
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(C)c(F)cc1N
InChIInChI=1S/C13H20FN3O/c1-4-5-16-13(18)8-17(3)12-6-9(2)10(14)7-11(12)15/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyLRBIETBLBYNKDT-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
CID 103590283
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
CID 114088970
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-(4-carbamothioyl-2-fluoro-N-methylanilino)-N-propylacetamide
CID 61452418
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol
CID 103590550
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 78940287
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 103589931

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide?
The IUPAC name of 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide (CID 103590092) is 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide?
The canonical SMILES for 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide is CCCNC(=O)CN(C)c1cc(C)c(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide?
The InChIKey is LRBIETBLBYNKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-5-16-13(18)8-17(3)12-6-9(2)10(14)7-11(12)15/h6-7H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide?
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide has a molecular weight of 253.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide is sourced from PubChem (CID 103590092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).