2-[2-(2,6-diethylanilino)phenyl]acetic acid

C18H21NO2 — CID 14762951

IUPAC2-[2-(2,6-diethylanilino)phenyl]acetic acid
SMILESCCc1cccc(CC)c1Nc1ccccc1CC(=O)O
InChIInChI=1S/C18H21NO2/c1-3-13-9-7-10-14(4-2)18(13)19-16-11-6-5-8-15(16)12-17(20)21/h5-11,19H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyVGSBGWCOTSSGQY-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.18
Rot. Bonds6

About 2-[2-(2,6-diethylanilino)phenyl]acetic acid

2-[2-(2,6-diethylanilino)phenyl]acetic acid (PubChem CID 14762951) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(2,6-diethylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-diethylanilino)phenyl]acetic acid
PubChem CID14762951
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-(2,6-diethylanilino)phenyl]acetic acid
SMILESCCc1cccc(CC)c1Nc1ccccc1CC(=O)O
InChIInChI=1S/C18H21NO2/c1-3-13-9-7-10-14(4-2)18(13)19-16-11-6-5-8-15(16)12-17(20)21/h5-11,19H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyVGSBGWCOTSSGQY-UHFFFAOYSA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-diethylanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-diethylanilino)phenyl]acetic acid (CID 14762951) is 2-[2-(2,6-diethylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-diethylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-diethylanilino)phenyl]acetic acid is CCc1cccc(CC)c1Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2,6-diethylanilino)phenyl]acetic acid?
The InChIKey is VGSBGWCOTSSGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-13-9-7-10-14(4-2)18(13)19-16-11-6-5-8-15(16)12-17(20)21/h5-11,19H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2,6-diethylanilino)phenyl]acetic acid?
2-[2-(2,6-diethylanilino)phenyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-diethylanilino)phenyl]acetic acid is sourced from PubChem (CID 14762951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).