2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide

C15H24FN3O — CID 63060924

IUPAC2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FN3O/c1-15(2,3)18-9-11-8-12(16)6-7-13(11)19(5)10-14(20)17-4/h6-8,18H,9-10H2,1-5H3,(H,17,20)
InChIKeyQKAQWAULTRCQEJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide

2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide (PubChem CID 63060924) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
PubChem CID63060924
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FN3O/c1-15(2,3)18-9-11-8-12(16)6-7-13(11)19(5)10-14(20)17-4/h6-8,18H,9-10H2,1-5H3,(H,17,20)
InChIKeyQKAQWAULTRCQEJ-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
CID 63059492
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 55005090
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63059377
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676
2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide
CID 54984828
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide (CID 63060924) is 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide?
The InChIKey is QKAQWAULTRCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-15(2,3)18-9-11-8-12(16)6-7-13(11)19(5)10-14(20)17-4/h6-8,18H,9-10H2,1-5H3,(H,17,20).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide?
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 63060924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).