4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid

C15H23NO3 — CID 43570292

IUPAC4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
SMILESCC(C)C(C)N(C)CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)12(3)16(4)9-10-19-14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyREJPJAXKUCQORI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.74
Rot. Bonds7

About 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid

4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid (PubChem CID 43570292) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
PubChem CID43570292
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
SMILESCC(C)C(C)N(C)CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)12(3)16(4)9-10-19-14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyREJPJAXKUCQORI-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[methyl(3-methylbutan-2-yl)amino]propoxy]benzoic acid
CID 63067760
4-[3-[2-methylpropyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63074029
4-(4-methylpentoxy)benzoic acid
CID 22645282
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
4-[3-[methyl(propyl)amino]propoxy]benzoic acid
CID 63069119
3-[3-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76908294
2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119913696
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid
CID 61449179
2-[methyl-[2-[4-(trifluoromethoxy)phenoxy]ethyl]amino]propanoic acid
CID 119913329
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid (CID 43570292) is 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid is CC(C)C(C)N(C)CCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid?
The InChIKey is REJPJAXKUCQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)12(3)16(4)9-10-19-14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid?
4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 43570292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).