2-anilino-2-(2,4,6-trimethylphenyl)acetic acid

C17H19NO2 — CID 60992437

IUPAC2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(Nc2ccccc2)C(=O)O)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-9-12(2)15(13(3)10-11)16(17(19)20)18-14-7-5-4-6-8-14/h4-10,16,18H,1-3H3,(H,19,20)
InChIKeyIXHPKGCVHCWKOV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.85
Rot. Bonds4

About 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid

2-anilino-2-(2,4,6-trimethylphenyl)acetic acid (PubChem CID 60992437) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
PubChem CID60992437
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(Nc2ccccc2)C(=O)O)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-9-12(2)15(13(3)10-11)16(17(19)20)18-14-7-5-4-6-8-14/h4-10,16,18H,1-3H3,(H,19,20)
InChIKeyIXHPKGCVHCWKOV-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992145
2-(4-methylanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 61005259
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 60996177
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
3-[1-(2,4,6-trimethylphenyl)ethylamino]benzoic acid
CID 43321862
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid (CID 60992437) is 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid is Cc1cc(C)c(C(Nc2ccccc2)C(=O)O)c(C)c1.
What is the InChIKey of 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid?
The InChIKey is IXHPKGCVHCWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-9-12(2)15(13(3)10-11)16(17(19)20)18-14-7-5-4-6-8-14/h4-10,16,18H,1-3H3,(H,19,20).
What are the key properties of 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid?
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 60992437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).