2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid

C15H23NO3 — CID 3040952

IUPAC2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid
SMILESCc1ccc(C(C)C)c(OCCN(C)C)c1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)12-7-6-11(3)13(15(17)18)14(12)19-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3,(H,17,18)
InChIKeyDCJZXTKDAOBQIY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid

2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid (PubChem CID 3040952) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid
PubChem CID3040952
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid
SMILESCc1ccc(C(C)C)c(OCCN(C)C)c1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)12-7-6-11(3)13(15(17)18)14(12)19-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3,(H,17,18)
InChIKeyDCJZXTKDAOBQIY-UHFFFAOYSA-N
XLogP2.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid (CID 3040952) is 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid is Cc1ccc(C(C)C)c(OCCN(C)C)c1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid?
The InChIKey is DCJZXTKDAOBQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)12-7-6-11(3)13(15(17)18)14(12)19-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid?
2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid is sourced from PubChem (CID 3040952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).