2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid

C16H17NO2 — CID 91873233

IUPAC2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H17NO2/c1-12-6-8-14(9-7-12)17(11-16(18)19)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyGMNSQEWPLMZJPY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid

2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid (PubChem CID 91873233) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid
PubChem CID91873233
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H17NO2/c1-12-6-8-14(9-7-12)17(11-16(18)19)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyGMNSQEWPLMZJPY-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid (CID 91873233) is 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid?
The InChIKey is GMNSQEWPLMZJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-6-8-14(9-7-12)17(11-16(18)19)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid?
2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid is sourced from PubChem (CID 91873233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).