2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine

C16H21NO — CID 54044857

IUPAC2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine
SMILESNCCC1CCC2=CC=COC3=CC=CCC23C1
InChIInChI=1S/C16H21NO/c17-10-8-13-6-7-14-4-3-11-18-15-5-1-2-9-16(14,15)12-13/h1-5,11,13H,6-10,12,17H2
InChIKeyLOVOVGOLIOZZAY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds2

About 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine

2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine (PubChem CID 54044857) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine.

Molecular Properties

Compound Name2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine
PubChem CID54044857
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine
SMILESNCCC1CCC2=CC=COC3=CC=CCC23C1
InChIInChI=1S/C16H21NO/c17-10-8-13-6-7-14-4-3-11-18-15-5-1-2-9-16(14,15)12-13/h1-5,11,13H,6-10,12,17H2
InChIKeyLOVOVGOLIOZZAY-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-Oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine;hydrochloride
CID 69474934
4-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)butan-1-amine
CID 91534886
(E,2R,6R)-7-methoxy-2-(5-methoxy-2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-6-methylhept-4-en-1-amine
CID 163975824

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine?
The IUPAC name of 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine (CID 54044857) is 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine.
What is the SMILES notation for 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine?
The canonical SMILES for 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine is NCCC1CCC2=CC=COC3=CC=CCC23C1.
What is the InChIKey of 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine?
The InChIKey is LOVOVGOLIOZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-10-8-13-6-7-14-4-3-11-18-15-5-1-2-9-16(14,15)12-13/h1-5,11,13H,6-10,12,17H2.
What are the key properties of 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine?
2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-14-yl)ethanamine is sourced from PubChem (CID 54044857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).