2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid

Name: 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉NO₂ — CID 81281867

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid

SMILESCc1ccc(C(C)Nc2ccc(C(=O)O)c(C)c2)cc1

InChIInChI=1S/C17H19NO2/c1-11-4-6-14(7-5-11)13(3)18-15-8-9-16(17(19)20)12(2)10-15/h4-10,13,18H,1-3H3,(H,19,20)

InChIKeyMDYAGAQYCCMSOW-UHFFFAOYSA-N

MW269.34 g/mol

LogP4.17

Rot. Bonds4

About 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid

2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid (PubChem CID 81281867) has the molecular formula C₁₇H₁₉NO₂ and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name	2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid
PubChem CID	81281867
Molecular Formula	C₁₇H₁₉NO₂
Molecular Weight	269.34 g/mol
Exact Mass	269.14
IUPAC Name	2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid
SMILES	Cc1ccc(C(C)Nc2ccc(C(=O)O)c(C)c2)cc1
InChI	InChI=1S/C17H19NO2/c1-11-4-6-14(7-5-11)13(3)18-15-8-9-16(17(19)20)12(2)10-15/h4-10,13,18H,1-3H3,(H,19,20)
InChIKey	MDYAGAQYCCMSOW-UHFFFAOYSA-N
XLogP	4.17
TPSA	49.33 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.34
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid?

The IUPAC name of 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid (CID 81281867) is 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid.

What is the SMILES notation for 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid?

The canonical SMILES for 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid is Cc1ccc(C(C)Nc2ccc(C(=O)O)c(C)c2)cc1.

What is the InChIKey of 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid?

The InChIKey is MDYAGAQYCCMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-4-6-14(7-5-11)13(3)18-15-8-9-16(17(19)20)12(2)10-15/h4-10,13,18H,1-3H3,(H,19,20).

What are the key properties of 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid?

2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 81281867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 81281867 — identifiers, structure, computed properties (public domain)

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