2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine

C12H15NO2 — CID 66875789

IUPAC2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
SMILESNCCC1=COC(C2=CC=CCC2)=CO1
InChIInChI=1S/C12H15NO2/c13-7-6-11-8-15-12(9-14-11)10-4-2-1-3-5-10/h1-2,4,8-9H,3,5-7,13H2
InChIKeyNLWDSVIJRINOJA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine

2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine (PubChem CID 66875789) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
PubChem CID66875789
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
SMILESNCCC1=COC(C2=CC=CCC2)=CO1
InChIInChI=1S/C12H15NO2/c13-7-6-11-8-15-12(9-14-11)10-4-2-1-3-5-10/h1-2,4,8-9H,3,5-7,13H2
InChIKeyNLWDSVIJRINOJA-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine (CID 66875789) is 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The canonical SMILES for 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine is NCCC1=COC(C2=CC=CCC2)=CO1.
What is the InChIKey of 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The InChIKey is NLWDSVIJRINOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-7-6-11-8-15-12(9-14-11)10-4-2-1-3-5-10/h1-2,4,8-9H,3,5-7,13H2.
What are the key properties of 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine is sourced from PubChem (CID 66875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).