1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine

C14H22N2O3 — CID 55012869

IUPAC1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine
SMILESCC(N)Cc1cc2c(cc1OCCN(C)C)OCO2
InChIInChI=1S/C14H22N2O3/c1-10(15)6-11-7-13-14(19-9-18-13)8-12(11)17-5-4-16(2)3/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyHQZWVOAQTHVJIP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.25
Rot. Bonds6

About 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine

1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine (PubChem CID 55012869) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine
PubChem CID55012869
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine
SMILESCC(N)Cc1cc2c(cc1OCCN(C)C)OCO2
InChIInChI=1S/C14H22N2O3/c1-10(15)6-11-7-13-14(19-9-18-13)8-12(11)17-5-4-16(2)3/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyHQZWVOAQTHVJIP-UHFFFAOYSA-N
XLogP1.25
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]methyl]-2-methylpropan-1-amine
CID 63061031
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
CID 55012870
[6-(2-propan-2-ylsulfanylethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 114268540
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
CID 83890043
1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
CID 60907775
7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298618
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
N-[[6-(2-methylsulfanylethoxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
CID 113473346
N-methyl-1-[6-(2-propan-2-yloxyethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55012013

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine?
The IUPAC name of 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine (CID 55012869) is 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine?
The canonical SMILES for 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine is CC(N)Cc1cc2c(cc1OCCN(C)C)OCO2.
What is the InChIKey of 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine?
The InChIKey is HQZWVOAQTHVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(15)6-11-7-13-14(19-9-18-13)8-12(11)17-5-4-16(2)3/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine?
1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine is sourced from PubChem (CID 55012869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).