2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C19H19N — CID 1237752

IUPAC2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCc1cc2c3c(c1)c(-c1ccccc1)c(C)n3CCC2
InChIInChI=1S/C19H19N/c1-13-11-16-9-6-10-20-14(2)18(17(12-13)19(16)20)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyPIJUYPHMPVRHIJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.87
Rot. Bonds1

About 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 1237752) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID1237752
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCc1cc2c3c(c1)c(-c1ccccc1)c(C)n3CCC2
InChIInChI=1S/C19H19N/c1-13-11-16-9-6-10-20-14(2)18(17(12-13)19(16)20)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyPIJUYPHMPVRHIJ-UHFFFAOYSA-N
XLogP4.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 1237752) is 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is Cc1cc2c3c(c1)c(-c1ccccc1)c(C)n3CCC2.
What is the InChIKey of 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is PIJUYPHMPVRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-13-11-16-9-6-10-20-14(2)18(17(12-13)19(16)20)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 261.37 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 1237752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).