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

C16H17NO2 — CID 14762941

IUPAC2-[2-(2,6-dimethylanilino)phenyl]acetic acid
SMILESCc1cccc(C)c1Nc1ccccc1CC(=O)O
InChIInChI=1S/C16H17NO2/c1-11-6-5-7-12(2)16(11)17-14-9-4-3-8-13(14)10-15(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyICJTVRXTYOYEOT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds4

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

2-[2-(2,6-dimethylanilino)phenyl]acetic acid (PubChem CID 14762941) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dimethylanilino)phenyl]acetic acid
PubChem CID14762941
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-(2,6-dimethylanilino)phenyl]acetic acid
SMILESCc1cccc(C)c1Nc1ccccc1CC(=O)O
InChIInChI=1S/C16H17NO2/c1-11-6-5-7-12(2)16(11)17-14-9-4-3-8-13(14)10-15(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyICJTVRXTYOYEOT-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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2-(2-(2-Chlorophenylamino)phenyl)acetic acid
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2-(2-(2-Fluorophenylamino)phenyl)acetic acid
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3-[4-(Benzylamino)phenyl]propanoic acid
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2-[2-[[3-[3-(Aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
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3-(4-Methylphenyl)-2-oxo-1,2-dihydro-4-quinolinecarboxylic acid
CID 1476800
[2-(2,6-Difluoroanilino)phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-dimethylanilino)phenyl]acetic acid (CID 14762941) is 2-[2-(2,6-dimethylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-dimethylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-dimethylanilino)phenyl]acetic acid is Cc1cccc(C)c1Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2,6-dimethylanilino)phenyl]acetic acid?
The InChIKey is ICJTVRXTYOYEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-5-7-12(2)16(11)17-14-9-4-3-8-13(14)10-15(18)19/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2,6-dimethylanilino)phenyl]acetic acid?
2-[2-(2,6-dimethylanilino)phenyl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylanilino)phenyl]acetic acid is sourced from PubChem (CID 14762941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).