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

C17H19NO2 — CID 81281867

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 Name2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid
PubChem CID81281867
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-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
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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).