3-acridin-9-ylaniline

C19H14N2 — CID 87131444

IUPAC3-acridin-9-ylaniline
SMILESNc1cccc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C19H14N2/c20-14-7-5-6-13(12-14)19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)19/h1-12H,20H2
InChIKeyIITGGPTYFWGMPP-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.64
Rot. Bonds1

About 3-acridin-9-ylaniline

3-acridin-9-ylaniline (PubChem CID 87131444) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-acridin-9-ylaniline.

Molecular Properties

Compound Name3-acridin-9-ylaniline
PubChem CID87131444
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name3-acridin-9-ylaniline
SMILESNc1cccc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C19H14N2/c20-14-7-5-6-13(12-14)19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)19/h1-12H,20H2
InChIKeyIITGGPTYFWGMPP-UHFFFAOYSA-N
XLogP4.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 3-acridin-9-ylaniline?
The IUPAC name of 3-acridin-9-ylaniline (CID 87131444) is 3-acridin-9-ylaniline.
What is the SMILES notation for 3-acridin-9-ylaniline?
The canonical SMILES for 3-acridin-9-ylaniline is Nc1cccc(-c2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 3-acridin-9-ylaniline?
The InChIKey is IITGGPTYFWGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c20-14-7-5-6-13(12-14)19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)19/h1-12H,20H2.
What are the key properties of 3-acridin-9-ylaniline?
3-acridin-9-ylaniline has a molecular weight of 270.33 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acridin-9-ylaniline is sourced from PubChem (CID 87131444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).