4-amino-2-[5-amino-2-(methylamino)phenyl]phenol

C13H15N3O — CID 18371929

IUPAC4-amino-2-[5-amino-2-(methylamino)phenyl]phenol
SMILESCNc1ccc(N)cc1-c1cc(N)ccc1O
InChIInChI=1S/C13H15N3O/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)17/h2-7,16-17H,14-15H2,1H3
InChIKeyAMIARXRXWXJIIP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.27
Rot. Bonds2

About 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol

4-amino-2-[5-amino-2-(methylamino)phenyl]phenol (PubChem CID 18371929) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol.

Molecular Properties

Compound Name4-amino-2-[5-amino-2-(methylamino)phenyl]phenol
PubChem CID18371929
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-amino-2-[5-amino-2-(methylamino)phenyl]phenol
SMILESCNc1ccc(N)cc1-c1cc(N)ccc1O
InChIInChI=1S/C13H15N3O/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)17/h2-7,16-17H,14-15H2,1H3
InChIKeyAMIARXRXWXJIIP-UHFFFAOYSA-N
XLogP2.27
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-amino-2-[5-amino-2-(methylamino)phenyl]phenol?
The IUPAC name of 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol (CID 18371929) is 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol.
What is the SMILES notation for 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol?
The canonical SMILES for 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol is CNc1ccc(N)cc1-c1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol?
The InChIKey is AMIARXRXWXJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)17/h2-7,16-17H,14-15H2,1H3.
What are the key properties of 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol?
4-amino-2-[5-amino-2-(methylamino)phenyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[5-amino-2-(methylamino)phenyl]phenol is sourced from PubChem (CID 18371929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).