5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol

C16H19NO3 — CID 107705884

IUPAC5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
SMILESCc1ccc(NC(C)c2cc(O)cc(O)c2)c(C)c1O
InChIInChI=1S/C16H19NO3/c1-9-4-5-15(10(2)16(9)20)17-11(3)12-6-13(18)8-14(19)7-12/h4-8,11,17-20H,1-3H3
InChIKeyWIQBBFCCNVZWLK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.59
Rot. Bonds3

About 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol

5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol (PubChem CID 107705884) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
PubChem CID107705884
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
SMILESCc1ccc(NC(C)c2cc(O)cc(O)c2)c(C)c1O
InChIInChI=1S/C16H19NO3/c1-9-4-5-15(10(2)16(9)20)17-11(3)12-6-13(18)8-14(19)7-12/h4-8,11,17-20H,1-3H3
InChIKeyWIQBBFCCNVZWLK-UHFFFAOYSA-N
XLogP3.59
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
2,6-dimethyl-3-[1-(4-propylphenyl)ethylamino]phenol
CID 43741815
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
5-[1-(3-iodo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107705679
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol (CID 107705884) is 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol is Cc1ccc(NC(C)c2cc(O)cc(O)c2)c(C)c1O.
What is the InChIKey of 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol?
The InChIKey is WIQBBFCCNVZWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-4-5-15(10(2)16(9)20)17-11(3)12-6-13(18)8-14(19)7-12/h4-8,11,17-20H,1-3H3.
What are the key properties of 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol?
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol has a molecular weight of 273.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).