2-aminophenol;4-(methylamino)phenol

C13H16N2O2 — CID 67680169

IUPAC2-aminophenol;4-(methylamino)phenol
SMILESCNc1ccc(O)cc1.Nc1ccccc1O
InChIInChI=1S/C7H9NO.C6H7NO/c1-8-6-2-4-7(9)5-3-6;7-5-3-1-2-4-6(5)8/h2-5,8-9H,1H3;1-4,8H,7H2
InChIKeyNREXXWKXGBLUIK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.41
Rot. Bonds1

About 2-aminophenol;4-(methylamino)phenol

2-aminophenol;4-(methylamino)phenol (PubChem CID 67680169) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-aminophenol;4-(methylamino)phenol.

Molecular Properties

Compound Name2-aminophenol;4-(methylamino)phenol
PubChem CID67680169
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-aminophenol;4-(methylamino)phenol
SMILESCNc1ccc(O)cc1.Nc1ccccc1O
InChIInChI=1S/C7H9NO.C6H7NO/c1-8-6-2-4-7(9)5-3-6;7-5-3-1-2-4-6(5)8/h2-5,8-9H,1H3;1-4,8H,7H2
InChIKeyNREXXWKXGBLUIK-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

n-Methyl-p-aminophenol
CID 5931
2-Acetamidophenol
CID 11972
4-Hydroxydiphenylamine
CID 31208
Metol
CID 5930
4-(Dimethylamino)phenol
CID 22174
p-(1-Piperazinyl)phenol
CID 92467
o-(1-Piperazinyl)phenol
CID 70530
4-(Benzylamino)phenol
CID 7637
2-(Dimethylamino)phenol
CID 459235
Neoarsphenamine
CID 76961391
Phenol, 4,4'-iminobis-
CID 74461
1-Cyclohexyl-3-(4-hydroxyphenyl)urea
CID 4051140

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;4-(methylamino)phenol?
The IUPAC name of 2-aminophenol;4-(methylamino)phenol (CID 67680169) is 2-aminophenol;4-(methylamino)phenol.
What is the SMILES notation for 2-aminophenol;4-(methylamino)phenol?
The canonical SMILES for 2-aminophenol;4-(methylamino)phenol is CNc1ccc(O)cc1.Nc1ccccc1O.
What is the InChIKey of 2-aminophenol;4-(methylamino)phenol?
The InChIKey is NREXXWKXGBLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C6H7NO/c1-8-6-2-4-7(9)5-3-6;7-5-3-1-2-4-6(5)8/h2-5,8-9H,1H3;1-4,8H,7H2.
What are the key properties of 2-aminophenol;4-(methylamino)phenol?
2-aminophenol;4-(methylamino)phenol has a molecular weight of 232.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;4-(methylamino)phenol is sourced from PubChem (CID 67680169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).