3-[2-(diethylamino)phenyl]-2-methylpropanoic acid

C14H21NO2 — CID 117342727

IUPAC3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
SMILESCCN(CC)c1ccccc1CC(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)13-9-7-6-8-12(13)10-11(3)14(16)17/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyRUVKANKLDAVXEW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid

3-[2-(diethylamino)phenyl]-2-methylpropanoic acid (PubChem CID 117342727) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
PubChem CID117342727
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
SMILESCCN(CC)c1ccccc1CC(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)13-9-7-6-8-12(13)10-11(3)14(16)17/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyRUVKANKLDAVXEW-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(diethylamino)phenyl]-2-methylpropanoic 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

3-(N-benzyl-2-ethylanilino)-2-methylpropanoic acid
CID 82317319
3-[2-(diethylamino)phenyl]propanoic acid
CID 28807035
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
3-[N-[3-(dimethylamino)propyl]-2-ethylanilino]-2-methylpropanoic acid
CID 82320010
3-[[2-(diethylamino)phenyl]methyl]-5-phenylpent-4-yn-2-one
CID 135079321
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154
3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
CID 67924023
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid (CID 117342727) is 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid is CCN(CC)c1ccccc1CC(C)C(=O)O.
What is the InChIKey of 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid?
The InChIKey is RUVKANKLDAVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)13-9-7-6-8-12(13)10-11(3)14(16)17/h6-9,11H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid?
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 117342727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).