6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine

C14H19NO3 — CID 66322144

IUPAC6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1OCC1CCCC1)OCCO2
InChIInChI=1S/C14H19NO3/c15-11-7-13-14(17-6-5-16-13)8-12(11)18-9-10-3-1-2-4-10/h7-8,10H,1-6,9,15H2
InChIKeyBOYWCARORYAFIC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.61
Rot. Bonds3

About 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 66322144) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID66322144
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1OCC1CCCC1)OCCO2
InChIInChI=1S/C14H19NO3/c15-11-7-13-14(17-6-5-16-13)8-12(11)18-9-10-3-1-2-4-10/h7-8,10H,1-6,9,15H2
InChIKeyBOYWCARORYAFIC-UHFFFAOYSA-N
XLogP2.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 66322144) is 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine is Nc1cc2c(cc1OCC1CCCC1)OCCO2.
What is the InChIKey of 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is BOYWCARORYAFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-11-7-13-14(17-6-5-16-13)8-12(11)18-9-10-3-1-2-4-10/h7-8,10H,1-6,9,15H2.
What are the key properties of 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 249.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 66322144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).