2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide

C16H26FN3O — CID 63059377

IUPAC2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C16H26FN3O/c1-5-20(11-16(21)18-4)15-7-6-14(17)8-13(15)10-19-9-12(2)3/h6-8,12,19H,5,9-11H2,1-4H3,(H,18,21)
InChIKeyBQYBGWXKCSEAMI-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.14
Rot. Bonds8

About 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide

2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide (PubChem CID 63059377) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
PubChem CID63059377
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C16H26FN3O/c1-5-20(11-16(21)18-4)15-7-6-14(17)8-13(15)10-19-9-12(2)3/h6-8,12,19H,5,9-11H2,1-4H3,(H,18,21)
InChIKeyBQYBGWXKCSEAMI-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide
CID 54984828
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
2-[2-bromo-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940265
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
The IUPAC name of 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide (CID 63059377) is 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
The canonical SMILES for 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc(F)cc1CNCC(C)C.
What is the InChIKey of 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
The InChIKey is BQYBGWXKCSEAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-20(11-16(21)18-4)15-7-6-14(17)8-13(15)10-19-9-12(2)3/h6-8,12,19H,5,9-11H2,1-4H3,(H,18,21).
What are the key properties of 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide has a molecular weight of 295.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide is sourced from PubChem (CID 63059377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).