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

C17H25NO2 — CID 60920129

IUPACN-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCC(NCCC1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H25NO2/c1-13(18-9-8-14-4-2-3-5-14)15-6-7-16-17(12-15)20-11-10-19-16/h6-7,12-14,18H,2-5,8-11H2,1H3
InChIKeyJHHFUUKHHITUJS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.69
Rot. Bonds5

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

N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 60920129) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID60920129
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCC(NCCC1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H25NO2/c1-13(18-9-8-14-4-2-3-5-14)15-6-7-16-17(12-15)20-11-10-19-16/h6-7,12-14,18H,2-5,8-11H2,1H3
InChIKeyJHHFUUKHHITUJS-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538043
1-(1,3-benzodioxol-5-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 103878969
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43195767
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]butan-1-ol
CID 106840592
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716126
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-butoxyethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 61169295
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 60920129) is N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is CC(NCCC1CCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is JHHFUUKHHITUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18-9-8-14-4-2-3-5-14)15-6-7-16-17(12-15)20-11-10-19-16/h6-7,12-14,18H,2-5,8-11H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 60920129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).