acridine;2-methylaniline

C20H18N2 — CID 174440557

IUPACacridine;2-methylaniline
SMILESCc1ccccc1N.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C7H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-6-4-2-3-5-7(6)8/h1-9H;2-5H,8H2,1H3
InChIKeyGQJSSDGNHLQJHF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.97
Rot. Bonds

About acridine;2-methylaniline

acridine;2-methylaniline (PubChem CID 174440557) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is acridine;2-methylaniline.

Molecular Properties

Compound Nameacridine;2-methylaniline
PubChem CID174440557
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Nameacridine;2-methylaniline
SMILESCc1ccccc1N.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C7H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-6-4-2-3-5-7(6)8/h1-9H;2-5H,8H2,1H3
InChIKeyGQJSSDGNHLQJHF-UHFFFAOYSA-N
XLogP4.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.97
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 acridine;2-methylaniline?
The IUPAC name of acridine;2-methylaniline (CID 174440557) is acridine;2-methylaniline.
What is the SMILES notation for acridine;2-methylaniline?
The canonical SMILES for acridine;2-methylaniline is Cc1ccccc1N.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;2-methylaniline?
The InChIKey is GQJSSDGNHLQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C7H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-6-4-2-3-5-7(6)8/h1-9H;2-5H,8H2,1H3.
What are the key properties of acridine;2-methylaniline?
acridine;2-methylaniline has a molecular weight of 286.38 g/mol, XLogP of 4.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;2-methylaniline is sourced from PubChem (CID 174440557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).