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

C11H13NO2 — CID 68945861

IUPACcyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine
SMILESNC(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C11H13NO2/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h1-2,4,6-8,11H,3,5,12H2
InChIKeyJYOWLAVRFDLKGY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.95
Rot. Bonds2

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

cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine (PubChem CID 68945861) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine
PubChem CID68945861
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namecyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine
SMILESNC(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C11H13NO2/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h1-2,4,6-8,11H,3,5,12H2
InChIKeyJYOWLAVRFDLKGY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine?
The IUPAC name of cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine (CID 68945861) is cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine?
The canonical SMILES for cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine is NC(C1=CC=CCC1)C1=COC=CO1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine?
The InChIKey is JYOWLAVRFDLKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h1-2,4,6-8,11H,3,5,12H2.
What are the key properties of cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine?
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 cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine is sourced from PubChem (CID 68945861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).