8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene

C21H19N — CID 166711235

IUPAC8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccccc1C1=C2C=CC=C(N2)c2ccccc2C1C
InChIInChI=1S/C21H19N/c1-14-8-3-4-9-16(14)21-15(2)17-10-5-6-11-18(17)19-12-7-13-20(21)22-19/h3-13,15,22H,1-2H3
InChIKeyGZAFUBBZHWNONG-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.02
Rot. Bonds1

About 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene

8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene (PubChem CID 166711235) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene
PubChem CID166711235
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccccc1C1=C2C=CC=C(N2)c2ccccc2C1C
InChIInChI=1S/C21H19N/c1-14-8-3-4-9-16(14)21-15(2)17-10-5-6-11-18(17)19-12-7-13-20(21)22-19/h3-13,15,22H,1-2H3
InChIKeyGZAFUBBZHWNONG-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene (CID 166711235) is 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene is Cc1ccccc1C1=C2C=CC=C(N2)c2ccccc2C1C.
What is the InChIKey of 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene?
The InChIKey is GZAFUBBZHWNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-14-8-3-4-9-16(14)21-15(2)17-10-5-6-11-18(17)19-12-7-13-20(21)22-19/h3-13,15,22H,1-2H3.
What are the key properties of 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene?
8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene has a molecular weight of 285.39 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(2-methylphenyl)-14-azatricyclo[8.3.1.02,7]tetradeca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 166711235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).