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

C15H24FN3O — CID 63059492

IUPAC2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C15H24FN3O/c1-15(2,3)18-9-11-6-7-13(12(16)8-11)19(5)10-14(20)17-4/h6-8,18H,9-10H2,1-5H3,(H,17,20)
InChIKeyLMDUGARXVMLMOC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds5

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

2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide (PubChem CID 63059492) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
PubChem CID63059492
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C15H24FN3O/c1-15(2,3)18-9-11-6-7-13(12(16)8-11)19(5)10-14(20)17-4/h6-8,18H,9-10H2,1-5H3,(H,17,20)
InChIKeyLMDUGARXVMLMOC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
CID 43657341
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090
3-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N-methylpropanamide
CID 106916716
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide (CID 63059492) is 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide?
The InChIKey is LMDUGARXVMLMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-15(2,3)18-9-11-6-7-13(12(16)8-11)19(5)10-14(20)17-4/h6-8,18H,9-10H2,1-5H3,(H,17,20).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide?
2-[4-[(tert-butylamino)methyl]-2-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-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 63059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).