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

C12H15NO2 — CID 91214374

IUPAC2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine
SMILESNC(CC1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C12H15NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,4,6-7,9,11H,3,5,8,13H2
InChIKeyLFUSHMMHNAKOGA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.34
Rot. Bonds3

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

2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine (PubChem CID 91214374) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine
PubChem CID91214374
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine
SMILESNC(CC1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C12H15NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,4,6-7,9,11H,3,5,8,13H2
InChIKeyLFUSHMMHNAKOGA-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

2-[Cyclohexa-1,3-dien-1-yl-(sulfinatoamino)methyl]-1,4-dioxine
CID 57479928
1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine
CID 57479931
Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine
CID 68945861
(3-Amino-2,3,4,6-tetrahydrochromen-5-ylidene)methanone
CID 88376081
2-[2-Cyclohexa-1,3-dien-1-yl-1-(sulfinatoamino)ethyl]-1,4-dioxine
CID 90742576
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
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]formamide
CID 91278827
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylethanamine
CID 91511846
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
2-[(S)-cyclohexa-1,3-dien-1-yl-(sulfinatoamino)methyl]-1,4-dioxine
CID 174520412
2-[Cyclohexa-1,3-dien-1-yl-(sulfinoamino)methyl]-1,4-dioxine
CID 57479929

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine (CID 91214374) is 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine is NC(CC1=CC=CCC1)C1=COC=CO1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine?
The InChIKey is LFUSHMMHNAKOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,4,6-7,9,11H,3,5,8,13H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine?
2-cyclohexa-1,3-dien-1-yl-1-(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-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine is sourced from PubChem (CID 91214374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).