5-amino-2-(2-ethylhexoxy)benzoic acid

C15H23NO3 — CID 54888104

IUPAC5-amino-2-(2-ethylhexoxy)benzoic acid
SMILESCCCCC(CC)COc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-3-5-6-11(4-2)10-19-14-8-7-12(16)9-13(14)15(17)18/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,18)
InChIKeyDBWMRJNFVITSDY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.56
Rot. Bonds8

About 5-amino-2-(2-ethylhexoxy)benzoic acid

5-amino-2-(2-ethylhexoxy)benzoic acid (PubChem CID 54888104) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-amino-2-(2-ethylhexoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(2-ethylhexoxy)benzoic acid
PubChem CID54888104
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-amino-2-(2-ethylhexoxy)benzoic acid
SMILESCCCCC(CC)COc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-3-5-6-11(4-2)10-19-14-8-7-12(16)9-13(14)15(17)18/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,18)
InChIKeyDBWMRJNFVITSDY-UHFFFAOYSA-N
XLogP3.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl 5-amino-2-bromobenzoate
CID 63446887
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
2-(2-ethylbutoxy)-5-methylbenzoic acid
CID 82926706
2-ethylhexyl 5-amino-2-(dimethylamino)benzoate
CID 63447147
ethyl 3-amino-4-(2-ethylhexoxy)benzoate
CID 63423326
CID 174954511
CID 174954511
2-(2-ethylhexoxy)-5-methylbenzene-1,4-diamine;4-methylaniline
CID 144669349
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylhexoxy)benzoic acid?
The IUPAC name of 5-amino-2-(2-ethylhexoxy)benzoic acid (CID 54888104) is 5-amino-2-(2-ethylhexoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(2-ethylhexoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(2-ethylhexoxy)benzoic acid is CCCCC(CC)COc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-ethylhexoxy)benzoic acid?
The InChIKey is DBWMRJNFVITSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-6-11(4-2)10-19-14-8-7-12(16)9-13(14)15(17)18/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2-(2-ethylhexoxy)benzoic acid?
5-amino-2-(2-ethylhexoxy)benzoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylhexoxy)benzoic acid is sourced from PubChem (CID 54888104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).