2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide

C12H17FN2O2 — CID 43259288

IUPAC2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O2/c1-8(2)15(3)12(16)7-17-11-5-4-9(14)6-10(11)13/h4-6,8H,7,14H2,1-3H3
InChIKeyNRGIQRICOHZOAF-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide

2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 43259288) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID43259288
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O2/c1-8(2)15(3)12(16)7-17-11-5-4-9(14)6-10(11)13/h4-6,8H,7,14H2,1-3H3
InChIKeyNRGIQRICOHZOAF-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-aminoethyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63051658
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63366702
2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 103201185
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
3-(4-amino-2-fluorophenoxy)-2,2-dimethylpropanoic acid
CID 79623200
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide (CID 43259288) is 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NRGIQRICOHZOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)15(3)12(16)7-17-11-5-4-9(14)6-10(11)13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43259288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).