2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid

C16H18N2O2 — CID 60891884

IUPAC2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
SMILESCc1ccc(N(CCc2ccncc2)CC(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-13-2-4-15(5-3-13)18(12-16(19)20)11-8-14-6-9-17-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)
InChIKeyWSTKMMZMWGLMFL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid

2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid (PubChem CID 60891884) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
PubChem CID60891884
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
SMILESCc1ccc(N(CCc2ccncc2)CC(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-13-2-4-15(5-3-13)18(12-16(19)20)11-8-14-6-9-17-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)
InChIKeyWSTKMMZMWGLMFL-UHFFFAOYSA-N
XLogP2.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-[N-(2-imidazol-1-ylethyl)-4-methylanilino]acetic acid
CID 54925615
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
2-(N-(3-amino-3-oxopropyl)-4-methylanilino)acetic acid
CID 60839570
2-[4-methyl-N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566736
2-(N-[3-(dimethylamino)-3-oxopropyl]-4-methylanilino)acetic acid
CID 54879046
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
N-(4-methylphenyl)-N-(2-phenylethyl)hydroxylamine
CID 57021705
2-(N-(2-hydroxy-2-methylpropyl)-4-methylanilino)acetic acid
CID 60884016

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
The IUPAC name of 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid (CID 60891884) is 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid is Cc1ccc(N(CCc2ccncc2)CC(=O)O)cc1.
What is the InChIKey of 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
The InChIKey is WSTKMMZMWGLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-2-4-15(5-3-13)18(12-16(19)20)11-8-14-6-9-17-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid is sourced from PubChem (CID 60891884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).