4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide

C16H25FN2O2 — CID 115955151

IUPAC4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-16(2,3)19-11-12-7-5-8-13(17)15(12)21-10-6-9-14(20)18-4/h5,7-8,19H,6,9-11H2,1-4H3,(H,18,20)
InChIKeyWMDWYOXXGBANRK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds7

About 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide

4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide (PubChem CID 115955151) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
PubChem CID115955151
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-16(2,3)19-11-12-7-5-8-13(17)15(12)21-10-6-9-14(20)18-4/h5,7-8,19H,6,9-11H2,1-4H3,(H,18,20)
InChIKeyWMDWYOXXGBANRK-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
4-[2-(aminomethyl)-3-fluorophenoxy]-N-methylbutanamide
CID 63892441

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide?
The IUPAC name of 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide (CID 115955151) is 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide is CNC(=O)CCCOc1c(F)cccc1CNC(C)(C)C.
What is the InChIKey of 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide?
The InChIKey is WMDWYOXXGBANRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-16(2,3)19-11-12-7-5-8-13(17)15(12)21-10-6-9-14(20)18-4/h5,7-8,19H,6,9-11H2,1-4H3,(H,18,20).
What are the key properties of 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide?
4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide has a molecular weight of 296.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide is sourced from PubChem (CID 115955151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).