4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

C18H21NO2 — CID 10016689

IUPAC4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESCOc1cc2c(cc1OC)-c1ccccc1CCN(C)C2
InChIInChI=1S/C18H21NO2/c1-19-9-8-13-6-4-5-7-15(13)16-11-18(21-3)17(20-2)10-14(16)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyGETRAQVOIHRJTE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.36
Rot. Bonds2

About 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (PubChem CID 10016689) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.

Molecular Properties

Compound Name4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
PubChem CID10016689
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESCOc1cc2c(cc1OC)-c1ccccc1CCN(C)C2
InChIInChI=1S/C18H21NO2/c1-19-9-8-13-6-4-5-7-15(13)16-11-18(21-3)17(20-2)10-14(16)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyGETRAQVOIHRJTE-UHFFFAOYSA-N
XLogP3.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The IUPAC name of 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (CID 10016689) is 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.
What is the SMILES notation for 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The canonical SMILES for 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is COc1cc2c(cc1OC)-c1ccccc1CCN(C)C2.
What is the InChIKey of 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The InChIKey is GETRAQVOIHRJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-9-8-13-6-4-5-7-15(13)16-11-18(21-3)17(20-2)10-14(16)12-19/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene has a molecular weight of 283.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is sourced from PubChem (CID 10016689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).