2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine

C16H25NO3 — CID 22666306

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H25NO3/c1-3-17(4-2)8-10-18-9-7-14-5-6-15-16(13-14)20-12-11-19-15/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyGXRACXIEWNMMAZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.36
Rot. Bonds8

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine (PubChem CID 22666306) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine
PubChem CID22666306
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H25NO3/c1-3-17(4-2)8-10-18-9-7-14-5-6-15-16(13-14)20-12-11-19-15/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyGXRACXIEWNMMAZ-UHFFFAOYSA-N
XLogP2.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
N-(2-butoxyethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 61483321
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpropan-1-amine
CID 143221337
2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2864468
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61448308
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
CID 22666350
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanethioamide
CID 82080478

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine (CID 22666306) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine is CCN(CC)CCOCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine?
The InChIKey is GXRACXIEWNMMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-17(4-2)8-10-18-9-7-14-5-6-15-16(13-14)20-12-11-19-15/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine is sourced from PubChem (CID 22666306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).