2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol

C12H19NO3 — CID 65102724

IUPAC2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
SMILESCC(NCC(C)(C)O)c1cc(O)ccc1O
InChIInChI=1S/C12H19NO3/c1-8(13-7-12(2,3)16)10-6-9(14)4-5-11(10)15/h4-6,8,13-16H,7H2,1-3H3
InChIKeyDKNCQJWGSWALSD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.52
Rot. Bonds4

About 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol

2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol (PubChem CID 65102724) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
PubChem CID65102724
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
SMILESCC(NCC(C)(C)O)c1cc(O)ccc1O
InChIInChI=1S/C12H19NO3/c1-8(13-7-12(2,3)16)10-6-9(14)4-5-11(10)15/h4-6,8,13-16H,7H2,1-3H3
InChIKeyDKNCQJWGSWALSD-UHFFFAOYSA-N
XLogP1.52
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(4-hydroxy-2,2-dimethylbutyl)amino]ethyl]benzene-1,4-diol
CID 106143682
N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
CID 115356029
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
2-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43731188
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
2-[1-[(4-hydroxy-2-methylbutyl)amino]ethyl]benzene-1,4-diol
CID 66090624
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
CID 113429342
2-[1-(4-bromo-2,6-dimethylanilino)ethyl]benzene-1,4-diol
CID 60946215
2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
CID 43504729

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol (CID 65102724) is 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol is CC(NCC(C)(C)O)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol?
The InChIKey is DKNCQJWGSWALSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(13-7-12(2,3)16)10-6-9(14)4-5-11(10)15/h4-6,8,13-16H,7H2,1-3H3.
What are the key properties of 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol?
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol has a molecular weight of 225.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 65102724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).