6-methoxy-11,12-dihydrobenzo[c][1]benzazocine

C16H15NO — CID 20678497

IUPAC6-methoxy-11,12-dihydrobenzo[c][1]benzazocine
SMILESCO/C1=N/c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H15NO/c1-18-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17-16/h2-9H,10-11H2,1H3/b17-16+
InChIKeyAHZWBEZZPIRVER-WUKNDPDISA-N
MW237.30 g/mol
LogP3.51
Rot. Bonds

About 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine

6-methoxy-11,12-dihydrobenzo[c][1]benzazocine (PubChem CID 20678497) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine.

Molecular Properties

Compound Name6-methoxy-11,12-dihydrobenzo[c][1]benzazocine
PubChem CID20678497
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-methoxy-11,12-dihydrobenzo[c][1]benzazocine
SMILESCO/C1=N/c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H15NO/c1-18-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17-16/h2-9H,10-11H2,1H3/b17-16+
InChIKeyAHZWBEZZPIRVER-WUKNDPDISA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine?
The IUPAC name of 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine (CID 20678497) is 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine.
What is the SMILES notation for 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine?
The canonical SMILES for 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine is CO/C1=N/c2ccccc2CCc2ccccc21.
What is the InChIKey of 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine?
The InChIKey is AHZWBEZZPIRVER-WUKNDPDISA-N. The full InChI is InChI=1S/C16H15NO/c1-18-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17-16/h2-9H,10-11H2,1H3/b17-16+.
What are the key properties of 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine?
6-methoxy-11,12-dihydrobenzo[c][1]benzazocine has a molecular weight of 237.30 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-11,12-dihydrobenzo[c][1]benzazocine is sourced from PubChem (CID 20678497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).