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

C13H17NO2 — CID 91253538

IUPAC2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
SMILESNCCC1=COC=C(CC2=CC=CCC2)O1
InChIInChI=1S/C13H17NO2/c14-7-6-12-9-15-10-13(16-12)8-11-4-2-1-3-5-11/h1-2,4,9-10H,3,5-8,14H2
InChIKeySQFCNVBASPAQSK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.73
Rot. Bonds4

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

2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine (PubChem CID 91253538) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
PubChem CID91253538
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
SMILESNCCC1=COC=C(CC2=CC=CCC2)O1
InChIInChI=1S/C13H17NO2/c14-7-6-12-9-15-10-13(16-12)8-11-4-2-1-3-5-11/h1-2,4,9-10H,3,5-8,14H2
InChIKeySQFCNVBASPAQSK-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine
CID 57057151
2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67233341
1-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 90833504
1-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 90994155
2-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 91354723
3-(Cyclohexen-1-yloxy)propan-1-amine
CID 140189669
2-(3-Ethoxycyclohex-2-en-1-ylidene)ethan-1-amine
CID 71377535
[3-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanamine
CID 71773394
4-(3,4-dihydro-2H-pyran-5-yl)pent-3-en-1-amine
CID 104059447
(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
CID 127260918

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine?
The IUPAC name of 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine (CID 91253538) is 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine?
The canonical SMILES for 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine is NCCC1=COC=C(CC2=CC=CCC2)O1.
What is the InChIKey of 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine?
The InChIKey is SQFCNVBASPAQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-7-6-12-9-15-10-13(16-12)8-11-4-2-1-3-5-11/h1-2,4,9-10H,3,5-8,14H2.
What are the key properties of 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine?
2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine has a molecular weight of 219.28 g/mol, XLogP of 2.73, 4 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-ylmethyl)-1,4-dioxin-2-yl]ethanamine is sourced from PubChem (CID 91253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).