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

C12H15NO2 — CID 67233341

IUPAC2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
SMILESNCCC1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C12H15NO2/c13-7-6-11-8-14-9-12(15-11)10-4-2-1-3-5-10/h1-2,4,8-9H,3,5-7,13H2
InChIKeyDZOXXYNKZLPXSN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.34
Rot. Bonds3

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

2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine (PubChem CID 67233341) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
PubChem CID67233341
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
SMILESNCCC1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C12H15NO2/c13-7-6-11-8-14-9-12(15-11)10-4-2-1-3-5-10/h1-2,4,8-9H,3,5-7,13H2
InChIKeyDZOXXYNKZLPXSN-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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Related Compounds

5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
CID 123877582
2,3,4,6-Tetrahydrochromen-6-id-2-amine;yttrium
CID 59060849
2-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 66875789
1-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67493337
1-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 68764051
2-[(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]ethanamine
CID 70105527
(7-pentoxy-3H-isochromen-4-yl)methanamine
CID 88111390
(7-methoxy-3H-isochromen-4-yl)methanamine
CID 88111455
3-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]oxypropan-1-amine
CID 89271071
2-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 91253538
2-[3-[4-(Cyclohexa-1,5-dien-1-ylmethoxy)butoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
CID 130373291
3-Cyclohexa-1,5-dien-1-yloxypropan-1-amine
CID 134526914

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The IUPAC name of 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine (CID 67233341) is 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine.
What is the SMILES notation for 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The canonical SMILES for 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine is NCCC1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
The InChIKey is DZOXXYNKZLPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-7-6-11-8-14-9-12(15-11)10-4-2-1-3-5-10/h1-2,4,8-9H,3,5-7,13H2.
What are the key properties of 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine?
2-(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, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine is sourced from PubChem (CID 67233341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).