1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine

C12H15NO2 — CID 68764051

IUPAC1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
SMILESCC(N)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C12H15NO2/c1-9(13)11-7-14-8-12(15-11)10-5-3-2-4-6-10/h2-3,5,7-9H,4,6,13H2,1H3
InChIKeyNRXFZKMTLNUWDE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.34
Rot. Bonds2

About 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine

1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine (PubChem CID 68764051) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
PubChem CID68764051
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
SMILESCC(N)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C12H15NO2/c1-9(13)11-7-14-8-12(15-11)10-5-3-2-4-6-10/h2-3,5,7-9H,4,6,13H2,1H3
InChIKeyNRXFZKMTLNUWDE-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The IUPAC name of 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine (CID 68764051) is 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine.
What is the SMILES notation for 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The canonical SMILES for 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine is CC(N)C1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The InChIKey is NRXFZKMTLNUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(13)11-7-14-8-12(15-11)10-5-3-2-4-6-10/h2-3,5,7-9H,4,6,13H2,1H3.
What are the key properties of 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
1-(6-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, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine is sourced from PubChem (CID 68764051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).