4-[2-(acridin-9-ylamino)ethyl]phenol

C21H18N2O — CID 11522530

IUPAC4-[2-(acridin-9-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C21H18N2O/c24-16-11-9-15(10-12-16)13-14-22-21-17-5-1-3-7-19(17)23-20-8-4-2-6-18(20)21/h1-12,24H,13-14H2,(H,22,23)
InChIKeyIAPQBQRCZSBBLP-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.75
Rot. Bonds4

About 4-[2-(acridin-9-ylamino)ethyl]phenol

4-[2-(acridin-9-ylamino)ethyl]phenol (PubChem CID 11522530) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[2-(acridin-9-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(acridin-9-ylamino)ethyl]phenol
PubChem CID11522530
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-[2-(acridin-9-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C21H18N2O/c24-16-11-9-15(10-12-16)13-14-22-21-17-5-1-3-7-19(17)23-20-8-4-2-6-18(20)21/h1-12,24H,13-14H2,(H,22,23)
InChIKeyIAPQBQRCZSBBLP-UHFFFAOYSA-N
XLogP4.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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 4-[2-(acridin-9-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(acridin-9-ylamino)ethyl]phenol (CID 11522530) is 4-[2-(acridin-9-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(acridin-9-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(acridin-9-ylamino)ethyl]phenol is Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 4-[2-(acridin-9-ylamino)ethyl]phenol?
The InChIKey is IAPQBQRCZSBBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-16-11-9-15(10-12-16)13-14-22-21-17-5-1-3-7-19(17)23-20-8-4-2-6-18(20)21/h1-12,24H,13-14H2,(H,22,23).
What are the key properties of 4-[2-(acridin-9-ylamino)ethyl]phenol?
4-[2-(acridin-9-ylamino)ethyl]phenol has a molecular weight of 314.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(acridin-9-ylamino)ethyl]phenol is sourced from PubChem (CID 11522530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).