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

C11H13NO2 — CID 46835338

IUPAC(3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine
SMILESNCC1=C(C2=CC=CCC2)OC=CO1
InChIInChI=1S/C11H13NO2/c12-8-10-11(14-7-6-13-10)9-4-2-1-3-5-9/h1-2,4,6-7H,3,5,8,12H2
InChIKeyJCOZBTPWNNOZBI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.95
Rot. Bonds2

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

(3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine (PubChem CID 46835338) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine
PubChem CID46835338
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine
SMILESNCC1=C(C2=CC=CCC2)OC=CO1
InChIInChI=1S/C11H13NO2/c12-8-10-11(14-7-6-13-10)9-4-2-1-3-5-9/h1-2,4,6-7H,3,5,8,12H2
InChIKeyJCOZBTPWNNOZBI-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10aH-pyrano[3,2-h][1,4]benzodioxin-3-ylmethanamine
CID 22324461
2-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 66875789
2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67233341
1-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67493337
(1R)-1-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine;hydrochloride
CID 68747640
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
2-[3-[4-(Cyclohexa-1,5-dien-1-ylmethoxy)butoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
CID 130373291
4aH-benzo[c]chromen-6-ylmethanamine
CID 153747946
(2-methoxy-4aH-benzo[c]chromen-6-yl)methanamine
CID 153747948

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine?
The IUPAC name of (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine (CID 46835338) is (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine.
What is the SMILES notation for (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine?
The canonical SMILES for (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine is NCC1=C(C2=CC=CCC2)OC=CO1.
What is the InChIKey of (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine?
The InChIKey is JCOZBTPWNNOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-8-10-11(14-7-6-13-10)9-4-2-1-3-5-9/h1-2,4,6-7H,3,5,8,12H2.
What are the key properties of (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine?
(3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine is sourced from PubChem (CID 46835338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).