4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid

C15H16N2O3 — CID 18371515

IUPAC4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid
SMILESNc1ccc(NCCO)cc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c16-14-6-5-12(17-7-8-18)9-13(14)10-1-3-11(4-2-10)15(19)20/h1-6,9,17-18H,7-8,16H2,(H,19,20)
InChIKeyLJFOUIYZISIIPT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.04
Rot. Bonds5

About 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid

4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid (PubChem CID 18371515) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid
PubChem CID18371515
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid
SMILESNc1ccc(NCCO)cc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c16-14-6-5-12(17-7-8-18)9-13(14)10-1-3-11(4-2-10)15(19)20/h1-6,9,17-18H,7-8,16H2,(H,19,20)
InChIKeyLJFOUIYZISIIPT-UHFFFAOYSA-N
XLogP2.04
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-5-(2-methoxyethylamino)phenyl]benzoic acid
CID 18371553
2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol
CID 18371271
3-[2-amino-5-(2-hydroxyethylamino)phenyl]phenol
CID 18371468
2-amino-4-(2-hydroxyethylamino)benzoic acid
CID 175322504
4-amino-3-(4-tert-butylphenyl)benzoic acid
CID 82305590
2-[3-(2,5-diaminophenyl)-5-(2-hydroxyethylamino)anilino]ethanol
CID 57203629
3,5-diamino-4-(2-hydroxyethylamino)benzoic acid
CID 57078185
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
4-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]benzoic acid
CID 18371335
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
2-(2-hydroxyethylamino)ethanol;terephthalic acid
CID 70636860

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid?
The IUPAC name of 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid (CID 18371515) is 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid.
What is the SMILES notation for 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid?
The canonical SMILES for 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid is Nc1ccc(NCCO)cc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid?
The InChIKey is LJFOUIYZISIIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-14-6-5-12(17-7-8-18)9-13(14)10-1-3-11(4-2-10)15(19)20/h1-6,9,17-18H,7-8,16H2,(H,19,20).
What are the key properties of 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid?
4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid is sourced from PubChem (CID 18371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).