2-[4-(aminomethyl)-2-fluorophenoxy]propanamide

C10H13FN2O2 — CID 107665477

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
SMILESCC(Oc1ccc(CN)cc1F)C(N)=O
InChIInChI=1S/C10H13FN2O2/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyQXONLVFQDFURBF-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.54
Rot. Bonds4

About 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide

2-[4-(aminomethyl)-2-fluorophenoxy]propanamide (PubChem CID 107665477) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
PubChem CID107665477
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
SMILESCC(Oc1ccc(CN)cc1F)C(N)=O
InChIInChI=1S/C10H13FN2O2/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyQXONLVFQDFURBF-UHFFFAOYSA-N
XLogP0.54
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide (CID 107665477) is 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide is CC(Oc1ccc(CN)cc1F)C(N)=O.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide?
The InChIKey is QXONLVFQDFURBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,5,12H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide?
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide has a molecular weight of 212.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]propanamide is sourced from PubChem (CID 107665477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).