5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid

C15H21F2NO3 — CID 106806922

IUPAC5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid
SMILESCCNC(CC)(CCCOc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C15H21F2NO3/c1-3-15(14(19)20,18-4-2)8-5-9-21-13-7-6-11(16)10-12(13)17/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyYSAQKIMGGUARJZ-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.97
Rot. Bonds9

About 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid

5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid (PubChem CID 106806922) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid
PubChem CID106806922
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid
SMILESCCNC(CC)(CCCOc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C15H21F2NO3/c1-3-15(14(19)20,18-4-2)8-5-9-21-13-7-6-11(16)10-12(13)17/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyYSAQKIMGGUARJZ-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid 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-ethyl-2-(ethylamino)-5-(4-fluoro-3-methylphenoxy)pentanoic acid
CID 106807129
5-(2,5-difluorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807405
2-[4-(2,4-difluorophenoxy)butanoylamino]-2-methylpropanoic acid
CID 119187526
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
CID 106806123
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 62572855
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
3-[4-(2,4-difluorophenoxy)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120700762
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid?
The IUPAC name of 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid (CID 106806922) is 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid?
The canonical SMILES for 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid is CCNC(CC)(CCCOc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid?
The InChIKey is YSAQKIMGGUARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-3-15(14(19)20,18-4-2)8-5-9-21-13-7-6-11(16)10-12(13)17/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid?
5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid has a molecular weight of 301.33 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid is sourced from PubChem (CID 106806922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).