6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C14H19NO — CID 23383731

IUPAC6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1cccc2c1CC1CC2(C)CCN1
InChIInChI=1S/C14H19NO/c1-14-6-7-15-10(9-14)8-11-12(14)4-3-5-13(11)16-2/h3-5,10,15H,6-9H2,1-2H3
InChIKeyHBISJBIXPSBMLL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.26
Rot. Bonds1

About 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 23383731) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID23383731
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1cccc2c1CC1CC2(C)CCN1
InChIInChI=1S/C14H19NO/c1-14-6-7-15-10(9-14)8-11-12(14)4-3-5-13(11)16-2/h3-5,10,15H,6-9H2,1-2H3
InChIKeyHBISJBIXPSBMLL-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 158498802
(3aR,9aR)-8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole
CID 54070919
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3-(2-methoxyphenyl)-3-methylpyrrolidine
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4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
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3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709
(3aS,9aR)-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 54561720
1-(2-methoxyphenyl)-3,5-dimethyladamantane
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3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
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7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
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5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193828
5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84722917

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 23383731) is 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is COc1cccc2c1CC1CC2(C)CCN1.
What is the InChIKey of 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is HBISJBIXPSBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-6-7-15-10(9-14)8-11-12(14)4-3-5-13(11)16-2/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 217.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 23383731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).