2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide

C13H19FN2O2 — CID 43116075

IUPAC2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-8(2)7-16-13(17)9(3)18-12-6-10(14)4-5-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyAMWJRHVPTVPPOF-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide

2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 43116075) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
PubChem CID43116075
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-8(2)7-16-13(17)9(3)18-12-6-10(14)4-5-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyAMWJRHVPTVPPOF-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
methyl 4-amino-3-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoate
CID 43380135
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
5-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82910941
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-(2-methylpropyl)propanamide
CID 62098476
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
CID 61388593
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide (CID 43116075) is 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is AMWJRHVPTVPPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)7-16-13(17)9(3)18-12-6-10(14)4-5-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide?
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 254.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43116075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).