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

C12H17NO2 — CID 117043729

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO2/c1-13(2)6-5-10-3-4-11-12(9-10)15-8-7-14-11/h3-4,9H,5-8H2,1-2H3
InChIKeyNFFRZZFICGYINX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.56
Rot. Bonds3

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine (PubChem CID 117043729) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
PubChem CID117043729
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO2/c1-13(2)6-5-10-3-4-11-12(9-10)15-8-7-14-11/h3-4,9H,5-8H2,1-2H3
InChIKeyNFFRZZFICGYINX-UHFFFAOYSA-N
XLogP1.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpropan-1-amine
CID 143221337
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methylamino]acetic acid
CID 82382573
N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N'-methylmethanediamine
CID 115226187
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propan-2-ol
CID 60884759
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine
CID 22666306
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
2-(1,3-benzodioxol-5-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115258994
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine (CID 117043729) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine is CN(C)CCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine?
The InChIKey is NFFRZZFICGYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(2)6-5-10-3-4-11-12(9-10)15-8-7-14-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 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,N-dimethylethanamine is sourced from PubChem (CID 117043729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).