2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid

C13H17F2NO2 — CID 43803617

IUPAC2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-4-16(5-2)13(3,12(17)18)11-9(14)7-6-8-10(11)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyLDKBEBNQYCUMNV-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.61
Rot. Bonds5

About 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid

2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid (PubChem CID 43803617) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
PubChem CID43803617
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-4-16(5-2)13(3,12(17)18)11-9(14)7-6-8-10(11)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyLDKBEBNQYCUMNV-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
2-(diethylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 43803729
2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
CID 43803614
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
CID 79053451
2-(2-carbamoyl-N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 79513921
2-(2,6-difluorophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341231
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid?
The IUPAC name of 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid (CID 43803617) is 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid?
The canonical SMILES for 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid is CCN(CC)C(C)(C(=O)O)c1c(F)cccc1F.
What is the InChIKey of 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid?
The InChIKey is LDKBEBNQYCUMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-4-16(5-2)13(3,12(17)18)11-9(14)7-6-8-10(11)15/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid?
2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid has a molecular weight of 257.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid is sourced from PubChem (CID 43803617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).