2-(acridin-9-ylamino)-4-methylphenol

C20H16N2O — CID 5088525

IUPAC2-(acridin-9-ylamino)-4-methylphenol
SMILESCc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C20H16N2O/c1-13-10-11-19(23)18(12-13)22-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-12,23H,1H3,(H,21,22)
InChIKeyRJGHPAYOFVCJQG-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.15
Rot. Bonds2

About 2-(acridin-9-ylamino)-4-methylphenol

2-(acridin-9-ylamino)-4-methylphenol (PubChem CID 5088525) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(acridin-9-ylamino)-4-methylphenol.

Molecular Properties

Compound Name2-(acridin-9-ylamino)-4-methylphenol
PubChem CID5088525
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-(acridin-9-ylamino)-4-methylphenol
SMILESCc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C20H16N2O/c1-13-10-11-19(23)18(12-13)22-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-12,23H,1H3,(H,21,22)
InChIKeyRJGHPAYOFVCJQG-UHFFFAOYSA-N
XLogP5.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(acridin-9-ylamino)-4-methylphenol?
The IUPAC name of 2-(acridin-9-ylamino)-4-methylphenol (CID 5088525) is 2-(acridin-9-ylamino)-4-methylphenol.
What is the SMILES notation for 2-(acridin-9-ylamino)-4-methylphenol?
The canonical SMILES for 2-(acridin-9-ylamino)-4-methylphenol is Cc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 2-(acridin-9-ylamino)-4-methylphenol?
The InChIKey is RJGHPAYOFVCJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-10-11-19(23)18(12-13)22-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-12,23H,1H3,(H,21,22).
What are the key properties of 2-(acridin-9-ylamino)-4-methylphenol?
2-(acridin-9-ylamino)-4-methylphenol has a molecular weight of 300.36 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acridin-9-ylamino)-4-methylphenol is sourced from PubChem (CID 5088525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).