2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine

C14H19NO3 — CID 104748816

IUPAC2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
SMILESNC(COc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C14H19NO3/c15-12(10-3-1-2-4-10)8-16-11-5-6-13-14(7-11)18-9-17-13/h5-7,10,12H,1-4,8-9,15H2
InChIKeyWARAZOQDPUMLBD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine

2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine (PubChem CID 104748816) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
PubChem CID104748816
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
SMILESNC(COc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C14H19NO3/c15-12(10-3-1-2-4-10)8-16-11-5-6-13-14(7-11)18-9-17-13/h5-7,10,12H,1-4,8-9,15H2
InChIKeyWARAZOQDPUMLBD-UHFFFAOYSA-N
XLogP2.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
2-(1,3-benzodioxol-5-yloxy)-1-(oxolan-3-yl)ethanol
CID 113449294
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6591950
3-(1,3-benzodioxol-5-yloxy)-2-methylpropanenitrile
CID 43174885

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine (CID 104748816) is 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine is NC(COc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine?
The InChIKey is WARAZOQDPUMLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-12(10-3-1-2-4-10)8-16-11-5-6-13-14(7-11)18-9-17-13/h5-7,10,12H,1-4,8-9,15H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine?
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine is sourced from PubChem (CID 104748816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).