7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C15H23NO4 — CID 43260155

IUPAC7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCCOCCOCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C15H23NO4/c1-2-3-4-17-5-6-18-11-12-9-14-15(10-13(12)16)20-8-7-19-14/h9-10H,2-8,11,16H2,1H3
InChIKeyIWVMYBPLDPZTFT-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.37
Rot. Bonds8

About 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43260155) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43260155
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCCOCCOCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C15H23NO4/c1-2-3-4-17-5-6-18-11-12-9-14-15(10-13(12)16)20-8-7-19-14/h9-10H,2-8,11,16H2,1H3
InChIKeyIWVMYBPLDPZTFT-UHFFFAOYSA-N
XLogP2.37
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(2-propan-2-yloxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260058
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;niobium
CID 87087523
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;tungsten
CID 87115513
7-(2-ethylhexoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260166
lithium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride
CID 172997576
magnesium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride;hydrochloride
CID 173191219
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethanol
CID 68583308
magnesium;butane;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethane
CID 87330887
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
CID 87241923
CID 87241923
CID 88614364
CID 88614364
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;2,3,4,5,6-pentachlorophenol;phosphane
CID 88711288

Frequently Asked Questions

What is the IUPAC name of 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43260155) is 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is CCCCOCCOCc1cc2c(cc1N)OCCO2.
What is the InChIKey of 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is IWVMYBPLDPZTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-3-4-17-5-6-18-11-12-9-14-15(10-13(12)16)20-8-7-19-14/h9-10H,2-8,11,16H2,1H3.
What are the key properties of 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 281.35 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43260155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).