3-amino-6-(4-aminophenyl)-2-chlorophenol

C12H11ClN2O — CID 151236147

IUPAC3-amino-6-(4-aminophenyl)-2-chlorophenol
SMILESNc1ccc(-c2ccc(N)c(Cl)c2O)cc1
InChIInChI=1S/C12H11ClN2O/c13-11-10(15)6-5-9(12(11)16)7-1-3-8(14)4-2-7/h1-6,16H,14-15H2
InChIKeyNPHXTISBLQGSRU-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.88
Rot. Bonds1

About 3-amino-6-(4-aminophenyl)-2-chlorophenol

3-amino-6-(4-aminophenyl)-2-chlorophenol (PubChem CID 151236147) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-amino-6-(4-aminophenyl)-2-chlorophenol.

Molecular Properties

Compound Name3-amino-6-(4-aminophenyl)-2-chlorophenol
PubChem CID151236147
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-amino-6-(4-aminophenyl)-2-chlorophenol
SMILESNc1ccc(-c2ccc(N)c(Cl)c2O)cc1
InChIInChI=1S/C12H11ClN2O/c13-11-10(15)6-5-9(12(11)16)7-1-3-8(14)4-2-7/h1-6,16H,14-15H2
InChIKeyNPHXTISBLQGSRU-UHFFFAOYSA-N
XLogP2.88
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-aminophenyl)-2-chlorophenol?
The IUPAC name of 3-amino-6-(4-aminophenyl)-2-chlorophenol (CID 151236147) is 3-amino-6-(4-aminophenyl)-2-chlorophenol.
What is the SMILES notation for 3-amino-6-(4-aminophenyl)-2-chlorophenol?
The canonical SMILES for 3-amino-6-(4-aminophenyl)-2-chlorophenol is Nc1ccc(-c2ccc(N)c(Cl)c2O)cc1.
What is the InChIKey of 3-amino-6-(4-aminophenyl)-2-chlorophenol?
The InChIKey is NPHXTISBLQGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-11-10(15)6-5-9(12(11)16)7-1-3-8(14)4-2-7/h1-6,16H,14-15H2.
What are the key properties of 3-amino-6-(4-aminophenyl)-2-chlorophenol?
3-amino-6-(4-aminophenyl)-2-chlorophenol has a molecular weight of 234.69 g/mol, XLogP of 2.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-aminophenyl)-2-chlorophenol is sourced from PubChem (CID 151236147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).