2-[2-(ethylamino)-4-methylphenyl]propanoic acid

C12H17NO2 — CID 154242740

IUPAC2-[2-(ethylamino)-4-methylphenyl]propanoic acid
SMILESCCNc1cc(C)ccc1C(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-4-13-11-7-8(2)5-6-10(11)9(3)12(14)15/h5-7,9,13H,4H2,1-3H3,(H,14,15)
InChIKeyNAKYNOUIFDGLSE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(ethylamino)-4-methylphenyl]propanoic acid

2-[2-(ethylamino)-4-methylphenyl]propanoic acid (PubChem CID 154242740) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(ethylamino)-4-methylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)-4-methylphenyl]propanoic acid
PubChem CID154242740
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(ethylamino)-4-methylphenyl]propanoic acid
SMILESCCNc1cc(C)ccc1C(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-4-13-11-7-8(2)5-6-10(11)9(3)12(14)15/h5-7,9,13H,4H2,1-3H3,(H,14,15)
InChIKeyNAKYNOUIFDGLSE-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(ethylamino)-4-methylphenyl]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-[2-(dimethylcarbamothioylamino)-4-methylphenyl]propanoic acid
CID 139975666
2-(2-ethenyl-4-methylphenyl)propanoic acid
CID 54325809
N,2-diethyl-5-methylaniline;ethane
CID 143835073
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline
CID 82551311
2-(ethylamino)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664227
N,2-diethyl-4-methylaniline
CID 23348946
2-(ethylamino)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510547
2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
N-[2-(dimethylamino)propyl]-2-(ethylamino)-5-methylbenzamide
CID 62508874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-4-methylphenyl]propanoic acid?
The IUPAC name of 2-[2-(ethylamino)-4-methylphenyl]propanoic acid (CID 154242740) is 2-[2-(ethylamino)-4-methylphenyl]propanoic acid.
What is the SMILES notation for 2-[2-(ethylamino)-4-methylphenyl]propanoic acid?
The canonical SMILES for 2-[2-(ethylamino)-4-methylphenyl]propanoic acid is CCNc1cc(C)ccc1C(C)C(=O)O.
What is the InChIKey of 2-[2-(ethylamino)-4-methylphenyl]propanoic acid?
The InChIKey is NAKYNOUIFDGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13-11-7-8(2)5-6-10(11)9(3)12(14)15/h5-7,9,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(ethylamino)-4-methylphenyl]propanoic acid?
2-[2-(ethylamino)-4-methylphenyl]propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-4-methylphenyl]propanoic acid is sourced from PubChem (CID 154242740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).