2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide

C11H15FN2O2 — CID 107170404

IUPAC2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
SMILESCc1ccc(OCC(C)(N)C(N)=O)cc1F
InChIInChI=1S/C11H15FN2O2/c1-7-3-4-8(5-9(7)12)16-6-11(2,14)10(13)15/h3-5H,6,14H2,1-2H3,(H2,13,15)
InChIKeyJPYCYVANFVOYFR-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide

2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide (PubChem CID 107170404) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
PubChem CID107170404
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
SMILESCc1ccc(OCC(C)(N)C(N)=O)cc1F
InChIInChI=1S/C11H15FN2O2/c1-7-3-4-8(5-9(7)12)16-6-11(2,14)10(13)15/h3-5H,6,14H2,1-2H3,(H2,13,15)
InChIKeyJPYCYVANFVOYFR-UHFFFAOYSA-N
XLogP0.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
2-amino-2-cyclopropyl-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170442
2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
CID 107171159
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide?
The IUPAC name of 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide (CID 107170404) is 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide?
The canonical SMILES for 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide is Cc1ccc(OCC(C)(N)C(N)=O)cc1F.
What is the InChIKey of 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide?
The InChIKey is JPYCYVANFVOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-3-4-8(5-9(7)12)16-6-11(2,14)10(13)15/h3-5H,6,14H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide?
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide has a molecular weight of 226.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide is sourced from PubChem (CID 107170404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).