1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine

C14H20N2O2 — CID 116914101

IUPAC1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine
SMILESCN(C)C(c1ccc2c(c1)OCCO2)C1(N)CC1
InChIInChI=1S/C14H20N2O2/c1-16(2)13(14(15)5-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,13H,5-8,15H2,1-2H3
InChIKeyRWGOLVBHYNYWQQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds3

About 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine

1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine (PubChem CID 116914101) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine
PubChem CID116914101
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine
SMILESCN(C)C(c1ccc2c(c1)OCCO2)C1(N)CC1
InChIInChI=1S/C14H20N2O2/c1-16(2)13(14(15)5-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,13H,5-8,15H2,1-2H3
InChIKeyRWGOLVBHYNYWQQ-UHFFFAOYSA-N
XLogP1.55
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine
CID 83911792
2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 82084796
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415003
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile
CID 28700828
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053086
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine (CID 116914101) is 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine is CN(C)C(c1ccc2c(c1)OCCO2)C1(N)CC1.
What is the InChIKey of 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine?
The InChIKey is RWGOLVBHYNYWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)13(14(15)5-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,13H,5-8,15H2,1-2H3.
What are the key properties of 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine?
1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116914101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).