4-propan-2-ylacridine

C16H15N — CID 87209750

IUPAC4-propan-2-ylacridine
SMILESCC(C)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C16H15N/c1-11(2)14-8-5-7-13-10-12-6-3-4-9-15(12)17-16(13)14/h3-11H,1-2H3
InChIKeyJIECZTITOZQGIT-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.51
Rot. Bonds1

About 4-propan-2-ylacridine

4-propan-2-ylacridine (PubChem CID 87209750) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-propan-2-ylacridine.

Molecular Properties

Compound Name4-propan-2-ylacridine
PubChem CID87209750
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name4-propan-2-ylacridine
SMILESCC(C)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C16H15N/c1-11(2)14-8-5-7-13-10-12-6-3-4-9-15(12)17-16(13)14/h3-11H,1-2H3
InChIKeyJIECZTITOZQGIT-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylacridine?
The IUPAC name of 4-propan-2-ylacridine (CID 87209750) is 4-propan-2-ylacridine.
What is the SMILES notation for 4-propan-2-ylacridine?
The canonical SMILES for 4-propan-2-ylacridine is CC(C)c1cccc2cc3ccccc3nc12.
What is the InChIKey of 4-propan-2-ylacridine?
The InChIKey is JIECZTITOZQGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11(2)14-8-5-7-13-10-12-6-3-4-9-15(12)17-16(13)14/h3-11H,1-2H3.
What are the key properties of 4-propan-2-ylacridine?
4-propan-2-ylacridine has a molecular weight of 221.30 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylacridine is sourced from PubChem (CID 87209750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).