2-(diethylamino)-2-(4-fluorophenyl)propanoic acid

C13H18FNO2 — CID 43803570

IUPAC2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-4-15(5-2)13(3,12(16)17)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyBUBOIDHBKWDONM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.47
Rot. Bonds5

About 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid

2-(diethylamino)-2-(4-fluorophenyl)propanoic acid (PubChem CID 43803570) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
PubChem CID43803570
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-4-15(5-2)13(3,12(16)17)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyBUBOIDHBKWDONM-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-2-(4-fluorophenyl)propanoic 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(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
2-(diethylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 43803729
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-(4-fluorophenyl)-2-[formyl(propyl)amino]propanoic acid
CID 63689460
2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
CID 43803617
2-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]propanoic acid
CID 114994570
2-(diethylamino)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 43803665
(2S)-2-[4-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(4-fluorophenyl)propanoic acid
CID 151542424
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62822057
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
CID 63701433

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid (CID 43803570) is 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid is CCN(CC)C(C)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is BUBOIDHBKWDONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-15(5-2)13(3,12(16)17)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid?
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 239.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 43803570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).