2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C13H19FN2O2 — CID 107686749

IUPAC2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCNCc1ccc(OCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-13(17)8-18-12-5-4-10(7-15-3)6-11(12)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyYWJUDCHSQNCVDX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.45
Rot. Bonds6

About 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 107686749) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID107686749
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCNCc1ccc(OCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-13(17)8-18-12-5-4-10(7-15-3)6-11(12)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyYWJUDCHSQNCVDX-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 107687871
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 107686749) is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CNCc1ccc(OCC(=O)NC(C)C)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is YWJUDCHSQNCVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16-13(17)8-18-12-5-4-10(7-15-3)6-11(12)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 107686749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).