2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol

C14H19NO — CID 105471532

IUPAC2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol
SMILESOCCC12CCN(CC1)Cc1ccccc12
InChIInChI=1S/C14H19NO/c16-10-7-14-5-8-15(9-6-14)11-12-3-1-2-4-13(12)14/h1-4,16H,5-11H2
InChIKeyHORKXOJLRYORRE-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds2

About 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol

2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol (PubChem CID 105471532) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol.

Molecular Properties

Compound Name2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol
PubChem CID105471532
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol
SMILESOCCC12CCN(CC1)Cc1ccccc12
InChIInChI=1S/C14H19NO/c16-10-7-14-5-8-15(9-6-14)11-12-3-1-2-4-13(12)14/h1-4,16H,5-11H2
InChIKeyHORKXOJLRYORRE-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol with MolForge

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Related Compounds

(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 11095109
2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol
CID 86069695
2-[1-(2-bromophenyl)cyclobutyl]ethanol
CID 83693368
2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
CID 121451603
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide
CID 1247932
2-ethyl-4-(2-hydroxyethyl)-4-phenyl-1H-isoquinolin-3-one
CID 57205692
1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine
CID 84783552
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-3-hydroxypropan-1-one
CID 142480222
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol
CID 66091440

Frequently Asked Questions

What is the IUPAC name of 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol?
The IUPAC name of 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol (CID 105471532) is 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol.
What is the SMILES notation for 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol?
The canonical SMILES for 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol is OCCC12CCN(CC1)Cc1ccccc12.
What is the InChIKey of 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol?
The InChIKey is HORKXOJLRYORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-10-7-14-5-8-15(9-6-14)11-12-3-1-2-4-13(12)14/h1-4,16H,5-11H2.
What are the key properties of 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol?
2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol has a molecular weight of 217.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol is sourced from PubChem (CID 105471532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).