4-[(2-amino-3,5-dibromophenyl)methylamino]phenol

C13H12Br2N2O — CID 24837110

IUPAC4-[(2-amino-3,5-dibromophenyl)methylamino]phenol
SMILESNc1c(Br)cc(Br)cc1CNc1ccc(O)cc1
InChIInChI=1S/C13H12Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h1-6,17-18H,7,16H2
InChIKeyJOJPEYJSPXYXTD-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.11
Rot. Bonds3

About 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol

4-[(2-amino-3,5-dibromophenyl)methylamino]phenol (PubChem CID 24837110) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-amino-3,5-dibromophenyl)methylamino]phenol
PubChem CID24837110
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name4-[(2-amino-3,5-dibromophenyl)methylamino]phenol
SMILESNc1c(Br)cc(Br)cc1CNc1ccc(O)cc1
InChIInChI=1S/C13H12Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h1-6,17-18H,7,16H2
InChIKeyJOJPEYJSPXYXTD-UHFFFAOYSA-N
XLogP4.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol?
The IUPAC name of 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol (CID 24837110) is 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol.
What is the SMILES notation for 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol?
The canonical SMILES for 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol is Nc1c(Br)cc(Br)cc1CNc1ccc(O)cc1.
What is the InChIKey of 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol?
The InChIKey is JOJPEYJSPXYXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h1-6,17-18H,7,16H2.
What are the key properties of 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol?
4-[(2-amino-3,5-dibromophenyl)methylamino]phenol has a molecular weight of 372.06 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,5-dibromophenyl)methylamino]phenol is sourced from PubChem (CID 24837110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).