2-(2-amino-6-fluorophenoxy)-N-methylpropanamide

C10H13FN2O2 — CID 104831459

IUPAC2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(N)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-6(10(14)13-2)15-9-7(11)4-3-5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeySEVMWHSUHAYNAI-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.92
Rot. Bonds3

About 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide

2-(2-amino-6-fluorophenoxy)-N-methylpropanamide (PubChem CID 104831459) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
PubChem CID104831459
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(N)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-6(10(14)13-2)15-9-7(11)4-3-5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeySEVMWHSUHAYNAI-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.92
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

methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
(E)-3-[3-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid
CID 112614255
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
N-methyl-2-phenoxypropanamide
CID 4626974
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
3-amino-N-methyl-2-propan-2-yloxybenzamide
CID 154814948

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide?
The IUPAC name of 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide (CID 104831459) is 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1c(N)cccc1F.
What is the InChIKey of 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide?
The InChIKey is SEVMWHSUHAYNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(10(14)13-2)15-9-7(11)4-3-5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide?
2-(2-amino-6-fluorophenoxy)-N-methylpropanamide has a molecular weight of 212.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-fluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 104831459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).