4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid

C19H24N2O3 — CID 71207284

IUPAC4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
SMILESCN(CCOc1ccc(C(=O)O)cc1)CCN(C)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-20(12-13-21(2)17-6-4-3-5-7-17)14-15-24-18-10-8-16(9-11-18)19(22)23/h3-11H,12-15H2,1-2H3,(H,22,23)
InChIKeyHOISROVHTSIOSW-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.83
Rot. Bonds9

About 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid

4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid (PubChem CID 71207284) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
PubChem CID71207284
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
SMILESCN(CCOc1ccc(C(=O)O)cc1)CCN(C)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-20(12-13-21(2)17-6-4-3-5-7-17)14-15-24-18-10-8-16(9-11-18)19(22)23/h3-11H,12-15H2,1-2H3,(H,22,23)
InChIKeyHOISROVHTSIOSW-UHFFFAOYSA-N
XLogP2.83
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
CID 107736710
4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
4-[3-[methyl(propyl)amino]propoxy]benzoic acid
CID 63069119
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 43570292

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid (CID 71207284) is 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid is CN(CCOc1ccc(C(=O)O)cc1)CCN(C)c1ccccc1.
What is the InChIKey of 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid?
The InChIKey is HOISROVHTSIOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20(12-13-21(2)17-6-4-3-5-7-17)14-15-24-18-10-8-16(9-11-18)19(22)23/h3-11H,12-15H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid?
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid has a molecular weight of 328.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid is sourced from PubChem (CID 71207284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).