4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile

C16H19N3O2 — CID 160920367

IUPAC4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
SMILESCC(C)(C#N)Nc1ccc(O)cc1.Nc1ccc(O)cc1
InChIInChI=1S/C10H12N2O.C6H7NO/c1-10(2,7-11)12-8-3-5-9(13)6-4-8;7-5-1-3-6(8)4-2-5/h3-6,12-13H,1-2H3;1-4,8H,7H2
InChIKeySRYGNLRMYWPDIF-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds2

About 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile

4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile (PubChem CID 160920367) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
PubChem CID160920367
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
SMILESCC(C)(C#N)Nc1ccc(O)cc1.Nc1ccc(O)cc1
InChIInChI=1S/C10H12N2O.C6H7NO/c1-10(2,7-11)12-8-3-5-9(13)6-4-8;7-5-1-3-6(8)4-2-5/h3-6,12-13H,1-2H3;1-4,8H,7H2
InChIKeySRYGNLRMYWPDIF-UHFFFAOYSA-N
XLogP3.08
TPSA102.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
1-(4-hydroxyanilino)ethane-1,1-diol
CID 89402783
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063
2-(4-bromo-3-methylanilino)-2-methylpropanenitrile
CID 82131814
ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile
CID 144585006
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
4-aminophenol;butane;methanamine
CID 145479199
2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile
CID 123542022
4-amino-2-fluoro-N-(trideuteriomethyl)benzamide;4-(2-cyanopropan-2-ylamino)-2-fluoro-N-(trideuteriomethyl)benzamide;1,1,1,3,3,3-hexadeuteriopropan-2-one;trimethylsilylformonitrile
CID 159339258
1-(4-aminoanilino)propane-2,2-diol
CID 67103383
1-(4-hydroxyanilino)propane-1,1-diol
CID 175693749

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile?
The IUPAC name of 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile (CID 160920367) is 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile.
What is the SMILES notation for 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile?
The canonical SMILES for 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile is CC(C)(C#N)Nc1ccc(O)cc1.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile?
The InChIKey is SRYGNLRMYWPDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C6H7NO/c1-10(2,7-11)12-8-3-5-9(13)6-4-8;7-5-1-3-6(8)4-2-5/h3-6,12-13H,1-2H3;1-4,8H,7H2.
What are the key properties of 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile?
4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile has a molecular weight of 285.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile is sourced from PubChem (CID 160920367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).