2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid

C15H22FNO3 — CID 64855256

IUPAC2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid
SMILESCCNC(C)(CCCOc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C15H22FNO3/c1-4-17-15(3,14(18)19)8-5-9-20-13-10-11(2)6-7-12(13)16/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeySIXCQRDILLKBPG-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.75
Rot. Bonds8

About 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid

2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid (PubChem CID 64855256) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid
PubChem CID64855256
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid
SMILESCCNC(C)(CCCOc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C15H22FNO3/c1-4-17-15(3,14(18)19)8-5-9-20-13-10-11(2)6-7-12(13)16/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeySIXCQRDILLKBPG-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
The IUPAC name of 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid (CID 64855256) is 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid.
What is the SMILES notation for 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
The canonical SMILES for 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid is CCNC(C)(CCCOc1cc(C)ccc1F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
The InChIKey is SIXCQRDILLKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-17-15(3,14(18)19)8-5-9-20-13-10-11(2)6-7-12(13)16/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid has a molecular weight of 283.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid is sourced from PubChem (CID 64855256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).