1-methyl-2-propan-2-yloxyacridine

C17H17NO — CID 162457996

IUPAC1-methyl-2-propan-2-yloxyacridine
SMILESCc1c(OC(C)C)ccc2nc3ccccc3cc12
InChIInChI=1S/C17H17NO/c1-11(2)19-17-9-8-16-14(12(17)3)10-13-6-4-5-7-15(13)18-16/h4-11H,1-3H3
InChIKeyAOARMRDODKGXDN-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.48
Rot. Bonds2

About 1-methyl-2-propan-2-yloxyacridine

1-methyl-2-propan-2-yloxyacridine (PubChem CID 162457996) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yloxyacridine.

Molecular Properties

Compound Name1-methyl-2-propan-2-yloxyacridine
PubChem CID162457996
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-methyl-2-propan-2-yloxyacridine
SMILESCc1c(OC(C)C)ccc2nc3ccccc3cc12
InChIInChI=1S/C17H17NO/c1-11(2)19-17-9-8-16-14(12(17)3)10-13-6-4-5-7-15(13)18-16/h4-11H,1-3H3
InChIKeyAOARMRDODKGXDN-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methyl-2-propan-2-yloxyacridine?
The IUPAC name of 1-methyl-2-propan-2-yloxyacridine (CID 162457996) is 1-methyl-2-propan-2-yloxyacridine.
What is the SMILES notation for 1-methyl-2-propan-2-yloxyacridine?
The canonical SMILES for 1-methyl-2-propan-2-yloxyacridine is Cc1c(OC(C)C)ccc2nc3ccccc3cc12.
What is the InChIKey of 1-methyl-2-propan-2-yloxyacridine?
The InChIKey is AOARMRDODKGXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11(2)19-17-9-8-16-14(12(17)3)10-13-6-4-5-7-15(13)18-16/h4-11H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yloxyacridine?
1-methyl-2-propan-2-yloxyacridine has a molecular weight of 251.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yloxyacridine is sourced from PubChem (CID 162457996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).