2-[2-(2,3-dimethylanilino)phenyl]acetic acid

C16H17NO2 — CID 14762938

IUPAC2-[2-(2,3-dimethylanilino)phenyl]acetic acid
SMILESCc1cccc(Nc2ccccc2CC(=O)O)c1C
InChIInChI=1S/C16H17NO2/c1-11-6-5-9-14(12(11)2)17-15-8-4-3-7-13(15)10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyQMBFJLTXYWWQIQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds4

About 2-[2-(2,3-dimethylanilino)phenyl]acetic acid

2-[2-(2,3-dimethylanilino)phenyl]acetic acid (PubChem CID 14762938) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dimethylanilino)phenyl]acetic acid
PubChem CID14762938
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-(2,3-dimethylanilino)phenyl]acetic acid
SMILESCc1cccc(Nc2ccccc2CC(=O)O)c1C
InChIInChI=1S/C16H17NO2/c1-11-6-5-9-14(12(11)2)17-15-8-4-3-7-13(15)10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyQMBFJLTXYWWQIQ-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

Analyze 2-[2-(2,3-dimethylanilino)phenyl]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

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate
CID 89059403
2,3-dimethyl-N-phenylaniline
CID 14952469
CID 10739949
CID 10739949
2-(2-methylphenyl)acetic acid
CID 67440217
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
2-[2-(4-butylanilino)phenyl]acetic acid
CID 18546340
potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
CID 163956747
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,3-dimethylanilino)phenyl]acetic acid (CID 14762938) is 2-[2-(2,3-dimethylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dimethylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dimethylanilino)phenyl]acetic acid is Cc1cccc(Nc2ccccc2CC(=O)O)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylanilino)phenyl]acetic acid?
The InChIKey is QMBFJLTXYWWQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-5-9-14(12(11)2)17-15-8-4-3-7-13(15)10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2,3-dimethylanilino)phenyl]acetic acid?
2-[2-(2,3-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-(2,3-dimethylanilino)phenyl]acetic acid is sourced from PubChem (CID 14762938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).