2,5-dimethyl-2-(2-methylanilino)hexanoic acid

C15H23NO2 — CID 60991232

IUPAC2,5-dimethyl-2-(2-methylanilino)hexanoic acid
SMILESCc1ccccc1NC(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C15H23NO2/c1-11(2)9-10-15(4,14(17)18)16-13-8-6-5-7-12(13)3/h5-8,11,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyFVBRKXJTYGPMOT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds6

About 2,5-dimethyl-2-(2-methylanilino)hexanoic acid

2,5-dimethyl-2-(2-methylanilino)hexanoic acid (PubChem CID 60991232) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2-methylanilino)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(2-methylanilino)hexanoic acid
PubChem CID60991232
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,5-dimethyl-2-(2-methylanilino)hexanoic acid
SMILESCc1ccccc1NC(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C15H23NO2/c1-11(2)9-10-15(4,14(17)18)16-13-8-6-5-7-12(13)3/h5-8,11,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyFVBRKXJTYGPMOT-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
CID 60992455
2-(4-bromoanilino)-2,5-dimethylhexanoic acid
CID 60994545
2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
CID 60992410
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
CID 62487923
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid
CID 154787909
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(2-methylanilino)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(2-methylanilino)hexanoic acid (CID 60991232) is 2,5-dimethyl-2-(2-methylanilino)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(2-methylanilino)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(2-methylanilino)hexanoic acid is Cc1ccccc1NC(C)(CCC(C)C)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2-(2-methylanilino)hexanoic acid?
The InChIKey is FVBRKXJTYGPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)9-10-15(4,14(17)18)16-13-8-6-5-7-12(13)3/h5-8,11,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2,5-dimethyl-2-(2-methylanilino)hexanoic acid?
2,5-dimethyl-2-(2-methylanilino)hexanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(2-methylanilino)hexanoic acid is sourced from PubChem (CID 60991232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).