3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

C15H23FN2O2 — CID 115955331

IUPAC3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(F)cccc1CNCC(C)C
InChIInChI=1S/C15H23FN2O2/c1-11(2)9-18-10-12-5-4-6-13(16)15(12)20-8-7-14(19)17-3/h4-6,11,18H,7-10H2,1-3H3,(H,17,19)
InChIKeyKAFXBELJKYQFNG-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.09
Rot. Bonds8

About 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (PubChem CID 115955331) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
PubChem CID115955331
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(F)cccc1CNCC(C)C
InChIInChI=1S/C15H23FN2O2/c1-11(2)9-18-10-12-5-4-6-13(16)15(12)20-8-7-14(19)17-3/h4-6,11,18H,7-10H2,1-3H3,(H,17,19)
InChIKeyKAFXBELJKYQFNG-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115955257
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 115955301
4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
CID 115955151
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 112610784
N-[[3-fluoro-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 112610806
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (CID 115955331) is 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is CNC(=O)CCOc1c(F)cccc1CNCC(C)C.
What is the InChIKey of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The InChIKey is KAFXBELJKYQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(2)9-18-10-12-5-4-6-13(16)15(12)20-8-7-14(19)17-3/h4-6,11,18H,7-10H2,1-3H3,(H,17,19).
What are the key properties of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 115955331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).