(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

C19H21NO2 — CID 11616366

IUPAC(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
SMILESCOc1ccc2c(c1OC)-c1cccc3c1[14C@@H](C2)N(C)CC3
InChIInChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-14-17(12)15(20)11-13-7-8-16(21-2)19(22-3)18(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1/i15+2
InChIKeyHCXDSTXYBRCIQC-QNQYIDBZSA-N
MW297.37 g/mol
LogP3.46
Rot. Bonds2

About (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene (PubChem CID 11616366) has the molecular formula C19H21NO2 and a molecular weight of 297.37 g/mol. Its IUPAC name is (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene.

Molecular Properties

Compound Name(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
PubChem CID11616366
Molecular FormulaC19H21NO2
Molecular Weight297.37 g/mol
Exact Mass297.16
IUPAC Name(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
SMILESCOc1ccc2c(c1OC)-c1cccc3c1[14C@@H](C2)N(C)CC3
InChIInChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-14-17(12)15(20)11-13-7-8-16(21-2)19(22-3)18(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1/i15+2
InChIKeyHCXDSTXYBRCIQC-QNQYIDBZSA-N
XLogP3.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene with MolForge

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Related Compounds

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3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine
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CID 102295748
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Frequently Asked Questions

What is the IUPAC name of (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene?
The IUPAC name of (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene (CID 11616366) is (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene.
What is the SMILES notation for (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene?
The canonical SMILES for (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene is COc1ccc2c(c1OC)-c1cccc3c1[14C@@H](C2)N(C)CC3.
What is the InChIKey of (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene?
The InChIKey is HCXDSTXYBRCIQC-QNQYIDBZSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-14-17(12)15(20)11-13-7-8-16(21-2)19(22-3)18(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1/i15+2.
What are the key properties of (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene?
(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene has a molecular weight of 297.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene is sourced from PubChem (CID 11616366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).