4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid

C16H16N2O3 — CID 2725143

IUPAC4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-18(2)13-6-3-11(4-7-13)10-17-12-5-8-14(16(20)21)15(19)9-12/h3-10,19H,1-2H3,(H,20,21)/b17-10+
InChIKeyODFBNHLCJVNOEF-LICLKQGHSA-N
MW284.31 g/mol
LogP2.91
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid

4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid (PubChem CID 2725143) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid
PubChem CID2725143
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-18(2)13-6-3-11(4-7-13)10-17-12-5-8-14(16(20)21)15(19)9-12/h3-10,19H,1-2H3,(H,20,21)/b17-10+
InChIKeyODFBNHLCJVNOEF-LICLKQGHSA-N
XLogP2.91
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CID 79878
2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid
CID 1910825
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
4-(Dimethylamino)salicylic acid
CID 89978
N-(4-Carboxyphenyl)salicylideneimine
CID 97114
2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid
CID 655619
4-[(5-Fluoro-2-hydroxyphenyl)methylamino]-2-hydroxybenzoic acid
CID 141230691
Benzoic acid, 2-[4-(dipentylamino)-2-hydroxybenzoyl]-
CID 1910889
Benzoic acid, 2-[4-[ethyl(3-methylbutyl)amino]-2-hydroxybenzoyl]-
CID 3086329
2-Hydroxy-4-piperidin-1-ylbenzoic acid
CID 229856
2-Hydroxy-4-(undec-10-enylamino)benzoic acid
CID 20536500
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid (CID 2725143) is 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid is CN(C)c1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is ODFBNHLCJVNOEF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(2)13-6-3-11(4-7-13)10-17-12-5-8-14(16(20)21)15(19)9-12/h3-10,19H,1-2H3,(H,20,21)/b17-10+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid?
4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 2725143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).