2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol

C18H23NO2 — CID 43682928

IUPAC2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
SMILESCC(Nc1ccccc1C(C)(C)C)c1cc(O)ccc1O
InChIInChI=1S/C18H23NO2/c1-12(14-11-13(20)9-10-17(14)21)19-16-8-6-5-7-15(16)18(2,3)4/h5-12,19-21H,1-4H3
InChIKeyZBSLGPPJLAMAMO-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.57
Rot. Bonds3

About 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol

2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol (PubChem CID 43682928) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
PubChem CID43682928
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
SMILESCC(Nc1ccccc1C(C)(C)C)c1cc(O)ccc1O
InChIInChI=1S/C18H23NO2/c1-12(14-11-13(20)9-10-17(14)21)19-16-8-6-5-7-15(16)18(2,3)4/h5-12,19-21H,1-4H3
InChIKeyZBSLGPPJLAMAMO-UHFFFAOYSA-N
XLogP4.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43192467
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456
2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
CID 43750383
2-[1-(quinolin-8-ylamino)ethyl]benzene-1,4-diol
CID 43191666
2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
CID 43689977
2-[1-[2-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701
2-[1-(4-fluoro-2-methylanilino)ethyl]benzene-1,4-diol
CID 43195958
2-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,4-diol
CID 107644082
2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
2-[1-(4-bromo-2,6-dimethylanilino)ethyl]benzene-1,4-diol
CID 60946215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol (CID 43682928) is 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol is CC(Nc1ccccc1C(C)(C)C)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol?
The InChIKey is ZBSLGPPJLAMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(14-11-13(20)9-10-17(14)21)19-16-8-6-5-7-15(16)18(2,3)4/h5-12,19-21H,1-4H3.
What are the key properties of 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol?
2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol has a molecular weight of 285.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol is sourced from PubChem (CID 43682928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).