2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid

C14H22N2O2 — CID 54895272

IUPAC2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(NCCN(C)C)C(=O)O)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(11(2)9-10)13(14(17)18)15-7-8-16(3)4/h5-6,9,13,15H,7-8H2,1-4H3,(H,17,18)
InChIKeyWGMJSGOVZUFZBY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid

2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid (PubChem CID 54895272) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
PubChem CID54895272
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(NCCN(C)C)C(=O)O)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(11(2)9-10)13(14(17)18)15-7-8-16(3)4/h5-6,9,13,15H,7-8H2,1-4H3,(H,17,18)
InChIKeyWGMJSGOVZUFZBY-UHFFFAOYSA-N
XLogP1.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic 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

N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
3-[2-(dimethylamino)ethylamino]-4-(2,4-dimethylphenyl)butanoic acid
CID 82350617
tris(2-[2-[[carboxy-(2-hydroxy-4-methylphenyl)methyl]amino]ethylamino]-2-(2-hydroxy-4-methylphenyl)acetate);iron(3+)
CID 173000907
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 51891388
2-[2-(dimethylamino)ethylamino]-2-(2-nitrophenyl)acetic acid
CID 84748520
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894
3-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216029
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid (CID 54895272) is 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid is Cc1ccc(C(NCCN(C)C)C(=O)O)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid?
The InChIKey is WGMJSGOVZUFZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-12(11(2)9-10)13(14(17)18)15-7-8-16(3)4/h5-6,9,13,15H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid?
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid has a molecular weight of 250.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 54895272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).