2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid

C15H15NO3 — CID 43322121

IUPAC2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1ccccc1O
InChIInChI=1S/C15H15NO3/c1-10(11-6-3-5-9-14(11)17)16-13-8-4-2-7-12(13)15(18)19/h2-10,16-17H,1H3,(H,18,19)
InChIKeyJIABPEHQTZGAQS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.26
Rot. Bonds4

About 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid

2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid (PubChem CID 43322121) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
PubChem CID43322121
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1ccccc1O
InChIInChI=1S/C15H15NO3/c1-10(11-6-3-5-9-14(11)17)16-13-8-4-2-7-12(13)15(18)19/h2-10,16-17H,1H3,(H,18,19)
InChIKeyJIABPEHQTZGAQS-UHFFFAOYSA-N
XLogP3.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
CID 43322120
3-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzoic acid
CID 43727547
2-(butan-2-ylamino)benzoic acid
CID 19609454
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
2-(3-hydroxybutan-2-ylamino)benzoic acid
CID 131071288
2-amino-3-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 115545326
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 62231703
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid (CID 43322121) is 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid is CC(Nc1ccccc1C(=O)O)c1ccccc1O.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid?
The InChIKey is JIABPEHQTZGAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(11-6-3-5-9-14(11)17)16-13-8-4-2-7-12(13)15(18)19/h2-10,16-17H,1H3,(H,18,19).
What are the key properties of 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid?
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43322121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).