2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine

C24H21NO — CID 59572214

IUPAC2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc2oc3c(c2c1)CCc1ccccc1N3c1ccccc1C
InChIInChI=1S/C24H21NO/c1-16-11-14-23-20(15-16)19-13-12-18-8-4-6-10-22(18)25(24(19)26-23)21-9-5-3-7-17(21)2/h3-11,14-15H,12-13H2,1-2H3
InChIKeyKEITUKONQMTZCM-UHFFFAOYSA-N
MW339.44 g/mol
LogP6.62
Rot. Bonds1

About 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine

2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine (PubChem CID 59572214) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
PubChem CID59572214
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc2oc3c(c2c1)CCc1ccccc1N3c1ccccc1C
InChIInChI=1S/C24H21NO/c1-16-11-14-23-20(15-16)19-13-12-18-8-4-6-10-22(18)25(24(19)26-23)21-9-5-3-7-17(21)2/h3-11,14-15H,12-13H2,1-2H3
InChIKeyKEITUKONQMTZCM-UHFFFAOYSA-N
XLogP6.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The IUPAC name of 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine (CID 59572214) is 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The canonical SMILES for 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine is Cc1ccc2oc3c(c2c1)CCc1ccccc1N3c1ccccc1C.
What is the InChIKey of 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The InChIKey is KEITUKONQMTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-16-11-14-23-20(15-16)19-13-12-18-8-4-6-10-22(18)25(24(19)26-23)21-9-5-3-7-17(21)2/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine has a molecular weight of 339.44 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).