3-amino-2-(2,5-diaminophenyl)phenol

C12H13N3O — CID 22173919

IUPAC3-amino-2-(2,5-diaminophenyl)phenol
SMILESNc1ccc(N)c(-c2c(N)cccc2O)c1
InChIInChI=1S/C12H13N3O/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6,16H,13-15H2
InChIKeyRXHIOZWHNSSAIF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.81
Rot. Bonds1

About 3-amino-2-(2,5-diaminophenyl)phenol

3-amino-2-(2,5-diaminophenyl)phenol (PubChem CID 22173919) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-amino-2-(2,5-diaminophenyl)phenol.

Molecular Properties

Compound Name3-amino-2-(2,5-diaminophenyl)phenol
PubChem CID22173919
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-amino-2-(2,5-diaminophenyl)phenol
SMILESNc1ccc(N)c(-c2c(N)cccc2O)c1
InChIInChI=1S/C12H13N3O/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6,16H,13-15H2
InChIKeyRXHIOZWHNSSAIF-UHFFFAOYSA-N
XLogP1.81
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
3-amino-2-(2,4,5-trimethylphenyl)phenol
CID 22173924
2,5-diaminophenol;2-methylbenzene-1,3-diamine
CID 161250673
4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
CID 139787348
4-(2,5-diaminophenyl)benzene-1,3-diamine
CID 22061935
4-(2-amino-6-methylphenyl)benzene-1,3-diamine
CID 22061903
(9Z)-9-hydrazinylidenefluorene-2,5-diamine
CID 5381696
2-(2-aminophenyl)benzene-1,3-diamine
CID 22068804
3-amino-2-phenylphenol;2-phenylphenol
CID 67542566
3-amino-2-(3-fluorophenyl)phenol
CID 22173848
3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
CID 22173838

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-diaminophenyl)phenol?
The IUPAC name of 3-amino-2-(2,5-diaminophenyl)phenol (CID 22173919) is 3-amino-2-(2,5-diaminophenyl)phenol.
What is the SMILES notation for 3-amino-2-(2,5-diaminophenyl)phenol?
The canonical SMILES for 3-amino-2-(2,5-diaminophenyl)phenol is Nc1ccc(N)c(-c2c(N)cccc2O)c1.
What is the InChIKey of 3-amino-2-(2,5-diaminophenyl)phenol?
The InChIKey is RXHIOZWHNSSAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6,16H,13-15H2.
What are the key properties of 3-amino-2-(2,5-diaminophenyl)phenol?
3-amino-2-(2,5-diaminophenyl)phenol has a molecular weight of 215.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-diaminophenyl)phenol is sourced from PubChem (CID 22173919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).