N-phenylacridin-9-amine

C19H14N2 — CID 18757

IUPACN-phenylacridin-9-amine
SMILESc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C19H14N2/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,(H,20,21)
InChIKeyLNVQBBHYPGFSMX-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.13
Rot. Bonds2

About N-phenylacridin-9-amine

N-phenylacridin-9-amine (PubChem CID 18757) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-phenylacridin-9-amine.

Molecular Properties

Compound NameN-phenylacridin-9-amine
PubChem CID18757
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC NameN-phenylacridin-9-amine
SMILESc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C19H14N2/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,(H,20,21)
InChIKeyLNVQBBHYPGFSMX-UHFFFAOYSA-N
XLogP5.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-phenylacridin-9-amine?
The IUPAC name of N-phenylacridin-9-amine (CID 18757) is N-phenylacridin-9-amine.
What is the SMILES notation for N-phenylacridin-9-amine?
The canonical SMILES for N-phenylacridin-9-amine is c1ccc(Nc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of N-phenylacridin-9-amine?
The InChIKey is LNVQBBHYPGFSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,(H,20,21).
What are the key properties of N-phenylacridin-9-amine?
N-phenylacridin-9-amine has a molecular weight of 270.33 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylacridin-9-amine is sourced from PubChem (CID 18757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).