N-phenylanthracen-1-amine

C20H15N — CID 21444085

IUPACN-phenylanthracen-1-amine
SMILESc1ccc(Nc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C20H15N/c1-2-10-18(11-3-1)21-20-12-6-9-17-13-15-7-4-5-8-16(15)14-19(17)20/h1-14,21H
InChIKeyQCOIZKZASBFCJG-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.74
Rot. Bonds2

About N-phenylanthracen-1-amine

N-phenylanthracen-1-amine (PubChem CID 21444085) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is N-phenylanthracen-1-amine.

Molecular Properties

Compound NameN-phenylanthracen-1-amine
PubChem CID21444085
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC NameN-phenylanthracen-1-amine
SMILESc1ccc(Nc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C20H15N/c1-2-10-18(11-3-1)21-20-12-6-9-17-13-15-7-4-5-8-16(15)14-19(17)20/h1-14,21H
InChIKeyQCOIZKZASBFCJG-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-phenylanthracen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenylanthracen-1-amine?
The IUPAC name of N-phenylanthracen-1-amine (CID 21444085) is N-phenylanthracen-1-amine.
What is the SMILES notation for N-phenylanthracen-1-amine?
The canonical SMILES for N-phenylanthracen-1-amine is c1ccc(Nc2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of N-phenylanthracen-1-amine?
The InChIKey is QCOIZKZASBFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-2-10-18(11-3-1)21-20-12-6-9-17-13-15-7-4-5-8-16(15)14-19(17)20/h1-14,21H.
What are the key properties of N-phenylanthracen-1-amine?
N-phenylanthracen-1-amine has a molecular weight of 269.35 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylanthracen-1-amine is sourced from PubChem (CID 21444085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).