5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene

C14H19NO — CID 20537552

IUPAC5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
SMILESCOc1ccc2c(c1)CC1CCC(C2)NC1
InChIInChI=1S/C14H19NO/c1-16-14-5-3-11-7-13-4-2-10(9-15-13)6-12(11)8-14/h3,5,8,10,13,15H,2,4,6-7,9H2,1H3
InChIKeyQRFIEZGNDOBHDZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.16
Rot. Bonds1

About 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene

5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene (PubChem CID 20537552) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene.

Molecular Properties

Compound Name5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
PubChem CID20537552
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
SMILESCOc1ccc2c(c1)CC1CCC(C2)NC1
InChIInChI=1S/C14H19NO/c1-16-14-5-3-11-7-13-4-2-10(9-15-13)6-12(11)8-14/h3,5,8,10,13,15H,2,4,6-7,9H2,1H3
InChIKeyQRFIEZGNDOBHDZ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
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CID 134338473
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CID 64688198
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 92598631
2-azido-5-methoxy-2,3-dihydro-1H-indene
CID 132528606
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CID 57010390
2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
CID 19261422

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene?
The IUPAC name of 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene (CID 20537552) is 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene.
What is the SMILES notation for 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene?
The canonical SMILES for 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene is COc1ccc2c(c1)CC1CCC(C2)NC1.
What is the InChIKey of 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene?
The InChIKey is QRFIEZGNDOBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14-5-3-11-7-13-4-2-10(9-15-13)6-12(11)8-14/h3,5,8,10,13,15H,2,4,6-7,9H2,1H3.
What are the key properties of 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene?
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene has a molecular weight of 217.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene is sourced from PubChem (CID 20537552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).