2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide

C11H16FN3O — CID 102813438

IUPAC2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(F)cc(CN)c1
InChIInChI=1S/C11H16FN3O/c1-14-11(16)7-15(2)10-4-8(6-13)3-9(12)5-10/h3-5H,6-7,13H2,1-2H3,(H,14,16)
InChIKeySSKFFHOBZHWYIX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.47
Rot. Bonds4

About 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide

2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide (PubChem CID 102813438) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
PubChem CID102813438
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(F)cc(CN)c1
InChIInChI=1S/C11H16FN3O/c1-14-11(16)7-15(2)10-4-8(6-13)3-9(12)5-10/h3-5H,6-7,13H2,1-2H3,(H,14,16)
InChIKeySSKFFHOBZHWYIX-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
CID 102813911
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
2-[3-(aminomethyl)-5-bromo-N-methylanilino]-N,N-dimethylacetamide
CID 102813441
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
2-(N,3,5-trimethylanilino)acetohydrazide
CID 63583846

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide (CID 102813438) is 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1cc(F)cc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide?
The InChIKey is SSKFFHOBZHWYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14-11(16)7-15(2)10-4-8(6-13)3-9(12)5-10/h3-5H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide?
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide has a molecular weight of 225.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 102813438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).