3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

C21H23NO2 — CID 69204335

IUPAC3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1CC(C2=COC=C(C3=CC=CCC3)O2)c2ccccc21
InChIInChI=1S/C21H23NO2/c1-22(2)19-12-18(16-10-6-7-11-17(16)19)21-14-23-13-20(24-21)15-8-4-3-5-9-15/h3-4,6-8,10-11,13-14,18-19H,5,9,12H2,1-2H3
InChIKeyYIKOXZIPMVZOET-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.78
Rot. Bonds3

About 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 69204335) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID69204335
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1CC(C2=COC=C(C3=CC=CCC3)O2)c2ccccc21
InChIInChI=1S/C21H23NO2/c1-22(2)19-12-18(16-10-6-7-11-17(16)19)21-14-23-13-20(24-21)15-8-4-3-5-9-15/h3-4,6-8,10-11,13-14,18-19H,5,9,12H2,1-2H3
InChIKeyYIKOXZIPMVZOET-UHFFFAOYSA-N
XLogP4.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

(3S,4aS,6S,7aS)-N-benzyl-N-methyl-3-phenyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-amine
CID 132463759
3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 91215477
(Z)-4-[(2S)-2-[2-(1-methyl-5-phenyl-2H-pyridin-2-yl)phenyl]propoxy]pent-2-en-2-ol
CID 173730552
(1S,3S)-3-(5H-1,3-benzodioxin-6-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 10171716
(1S,3R)-3-(5H-1,3-benzodioxin-6-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 10286258
(1R,6R,7R,11R)-9-ethoxy-N,N-dimethyl-11-phenyltricyclo[5.2.2.01,6]undec-8-en-7-amine
CID 11335925
(1S,6S,7S,11R)-9-ethoxy-N,N-dimethyl-11-phenyltricyclo[5.2.2.01,6]undec-8-en-7-amine
CID 23328375
9-ethoxy-N,N-dimethyl-11-phenyltricyclo[5.2.2.01,6]undec-8-en-7-amine
CID 72806309

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 69204335) is 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is CN(C)C1CC(C2=COC=C(C3=CC=CCC3)O2)c2ccccc21.
What is the InChIKey of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YIKOXZIPMVZOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(2)19-12-18(16-10-6-7-11-17(16)19)21-14-23-13-20(24-21)15-8-4-3-5-9-15/h3-4,6-8,10-11,13-14,18-19H,5,9,12H2,1-2H3.
What are the key properties of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 321.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 69204335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).