2-(2,4-dimethylanilino)hexanoic acid

C14H21NO2 — CID 103230729

IUPAC2-(2,4-dimethylanilino)hexanoic acid
SMILESCCCCC(Nc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-5-6-13(14(16)17)15-12-8-7-10(2)9-11(12)3/h7-9,13,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRIAAOAINSCGWTN-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.36
Rot. Bonds6

About 2-(2,4-dimethylanilino)hexanoic acid

2-(2,4-dimethylanilino)hexanoic acid (PubChem CID 103230729) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)hexanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)hexanoic acid
PubChem CID103230729
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,4-dimethylanilino)hexanoic acid
SMILESCCCCC(Nc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-5-6-13(14(16)17)15-12-8-7-10(2)9-11(12)3/h7-9,13,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRIAAOAINSCGWTN-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534
(2R)-2-(2-bromo-4-methylanilino)pentanoic acid
CID 40788533
2-(4-methylanilino)heptanoic acid
CID 54889807
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684
2-(4-methylanilino)nonanoic acid
CID 63524441
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2-(3-methylanilino)heptanoic acid
CID 54890661
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)hexanoic acid?
The IUPAC name of 2-(2,4-dimethylanilino)hexanoic acid (CID 103230729) is 2-(2,4-dimethylanilino)hexanoic acid.
What is the SMILES notation for 2-(2,4-dimethylanilino)hexanoic acid?
The canonical SMILES for 2-(2,4-dimethylanilino)hexanoic acid is CCCCC(Nc1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-(2,4-dimethylanilino)hexanoic acid?
The InChIKey is RIAAOAINSCGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-13(14(16)17)15-12-8-7-10(2)9-11(12)3/h7-9,13,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylanilino)hexanoic acid?
2-(2,4-dimethylanilino)hexanoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)hexanoic acid is sourced from PubChem (CID 103230729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).