2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine

C15H23NO2 — CID 83050377

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine
SMILESCCCC(NC)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO2/c1-4-5-13(16-3)11(2)12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeyKAZTXZBONWFXQG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.95
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine (PubChem CID 83050377) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine
PubChem CID83050377
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine
SMILESCCCC(NC)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO2/c1-4-5-13(16-3)11(2)12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeyKAZTXZBONWFXQG-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-2-ol
CID 171268725
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
CID 7780742

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine (CID 83050377) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine is CCCC(NC)C(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine?
The InChIKey is KAZTXZBONWFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-13(16-3)11(2)12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylhexan-3-amine is sourced from PubChem (CID 83050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).