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

C12H17NO3 — CID 18709

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO3/c1-13(2)5-6-14-10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9H,5-8H2,1-2H3
InChIKeyOJGJXMSSGWKXEV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.40
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine (PubChem CID 18709) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
PubChem CID18709
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO3/c1-13(2)5-6-14-10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9H,5-8H2,1-2H3
InChIKeyOJGJXMSSGWKXEV-UHFFFAOYSA-N
XLogP1.40
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile
CID 23850252
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3457414
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-methylpropan-1-amine
CID 59144891
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide
CID 60520481
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 123641845
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride
CID 21228916
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060728

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine (CID 18709) is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine is CN(C)CCOc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine?
The InChIKey is OJGJXMSSGWKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(2)5-6-14-10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine?
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine has a molecular weight of 223.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 18709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).