3-(2,6-diethylanilino)benzene-1,2-diol

C16H19NO2 — CID 141324141

IUPAC3-(2,6-diethylanilino)benzene-1,2-diol
SMILESCCc1cccc(CC)c1Nc1cccc(O)c1O
InChIInChI=1S/C16H19NO2/c1-3-11-7-5-8-12(4-2)15(11)17-13-9-6-10-14(18)16(13)19/h5-10,17-19H,3-4H2,1-2H3
InChIKeyJEZNXZISTWYUQM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.97
Rot. Bonds4

About 3-(2,6-diethylanilino)benzene-1,2-diol

3-(2,6-diethylanilino)benzene-1,2-diol (PubChem CID 141324141) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2,6-diethylanilino)benzene-1,2-diol
PubChem CID141324141
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(2,6-diethylanilino)benzene-1,2-diol
SMILESCCc1cccc(CC)c1Nc1cccc(O)c1O
InChIInChI=1S/C16H19NO2/c1-3-11-7-5-8-12(4-2)15(11)17-13-9-6-10-14(18)16(13)19/h5-10,17-19H,3-4H2,1-2H3
InChIKeyJEZNXZISTWYUQM-UHFFFAOYSA-N
XLogP3.97
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)benzene-1,2-diol
CID 69118528
2,6-diethyl-N-phenylaniline
CID 45095580
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
CID 132526899
3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
CID 113452139
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
2-ethylphenol;N-methylmethanamine
CID 118325670
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
4-N-(2,6-diethylphenyl)benzene-1,4-diamine
CID 82292813
2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 3510733
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)benzene-1,2-diol?
The IUPAC name of 3-(2,6-diethylanilino)benzene-1,2-diol (CID 141324141) is 3-(2,6-diethylanilino)benzene-1,2-diol.
What is the SMILES notation for 3-(2,6-diethylanilino)benzene-1,2-diol?
The canonical SMILES for 3-(2,6-diethylanilino)benzene-1,2-diol is CCc1cccc(CC)c1Nc1cccc(O)c1O.
What is the InChIKey of 3-(2,6-diethylanilino)benzene-1,2-diol?
The InChIKey is JEZNXZISTWYUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-11-7-5-8-12(4-2)15(11)17-13-9-6-10-14(18)16(13)19/h5-10,17-19H,3-4H2,1-2H3.
What are the key properties of 3-(2,6-diethylanilino)benzene-1,2-diol?
3-(2,6-diethylanilino)benzene-1,2-diol has a molecular weight of 257.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)benzene-1,2-diol is sourced from PubChem (CID 141324141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).