2-amino-4-(2,4-diaminophenyl)phenol

C12H13N3O — CID 22062032

IUPAC2-amino-4-(2,4-diaminophenyl)phenol
SMILESNc1ccc(-c2ccc(O)c(N)c2)c(N)c1
InChIInChI=1S/C12H13N3O/c13-8-2-3-9(10(14)6-8)7-1-4-12(16)11(15)5-7/h1-6,16H,13-15H2
InChIKeySSGWSXFSKXFFGS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.81
Rot. Bonds1

About 2-amino-4-(2,4-diaminophenyl)phenol

2-amino-4-(2,4-diaminophenyl)phenol (PubChem CID 22062032) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-4-(2,4-diaminophenyl)phenol.

Molecular Properties

Compound Name2-amino-4-(2,4-diaminophenyl)phenol
PubChem CID22062032
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-4-(2,4-diaminophenyl)phenol
SMILESNc1ccc(-c2ccc(O)c(N)c2)c(N)c1
InChIInChI=1S/C12H13N3O/c13-8-2-3-9(10(14)6-8)7-1-4-12(16)11(15)5-7/h1-6,16H,13-15H2
InChIKeySSGWSXFSKXFFGS-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-diaminophenyl)phenol?
The IUPAC name of 2-amino-4-(2,4-diaminophenyl)phenol (CID 22062032) is 2-amino-4-(2,4-diaminophenyl)phenol.
What is the SMILES notation for 2-amino-4-(2,4-diaminophenyl)phenol?
The canonical SMILES for 2-amino-4-(2,4-diaminophenyl)phenol is Nc1ccc(-c2ccc(O)c(N)c2)c(N)c1.
What is the InChIKey of 2-amino-4-(2,4-diaminophenyl)phenol?
The InChIKey is SSGWSXFSKXFFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-2-3-9(10(14)6-8)7-1-4-12(16)11(15)5-7/h1-6,16H,13-15H2.
What are the key properties of 2-amino-4-(2,4-diaminophenyl)phenol?
2-amino-4-(2,4-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 2-amino-4-(2,4-diaminophenyl)phenol is sourced from PubChem (CID 22062032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).