1-bromo-1-methoxy-10-methyl-9-phenylacridine

C21H18BrNO — CID 175027346

IUPAC1-bromo-1-methoxy-10-methyl-9-phenylacridine
SMILESCOC1(Br)C=CC=C2C1=C(c1ccccc1)c1ccccc1N2C
InChIInChI=1S/C21H18BrNO/c1-23-17-12-7-6-11-16(17)19(15-9-4-3-5-10-15)20-18(23)13-8-14-21(20,22)24-2/h3-14H,1-2H3
InChIKeyINRKTPBGNYHINV-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.13
Rot. Bonds2

About 1-bromo-1-methoxy-10-methyl-9-phenylacridine

1-bromo-1-methoxy-10-methyl-9-phenylacridine (PubChem CID 175027346) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-bromo-1-methoxy-10-methyl-9-phenylacridine.

Molecular Properties

Compound Name1-bromo-1-methoxy-10-methyl-9-phenylacridine
PubChem CID175027346
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name1-bromo-1-methoxy-10-methyl-9-phenylacridine
SMILESCOC1(Br)C=CC=C2C1=C(c1ccccc1)c1ccccc1N2C
InChIInChI=1S/C21H18BrNO/c1-23-17-12-7-6-11-16(17)19(15-9-4-3-5-10-15)20-18(23)13-8-14-21(20,22)24-2/h3-14H,1-2H3
InChIKeyINRKTPBGNYHINV-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-methoxy-10-methyl-9-phenylacridine?
The IUPAC name of 1-bromo-1-methoxy-10-methyl-9-phenylacridine (CID 175027346) is 1-bromo-1-methoxy-10-methyl-9-phenylacridine.
What is the SMILES notation for 1-bromo-1-methoxy-10-methyl-9-phenylacridine?
The canonical SMILES for 1-bromo-1-methoxy-10-methyl-9-phenylacridine is COC1(Br)C=CC=C2C1=C(c1ccccc1)c1ccccc1N2C.
What is the InChIKey of 1-bromo-1-methoxy-10-methyl-9-phenylacridine?
The InChIKey is INRKTPBGNYHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-23-17-12-7-6-11-16(17)19(15-9-4-3-5-10-15)20-18(23)13-8-14-21(20,22)24-2/h3-14H,1-2H3.
What are the key properties of 1-bromo-1-methoxy-10-methyl-9-phenylacridine?
1-bromo-1-methoxy-10-methyl-9-phenylacridine has a molecular weight of 380.29 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-methoxy-10-methyl-9-phenylacridine is sourced from PubChem (CID 175027346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).