6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine

C11H13NO2 — CID 178072510

IUPAC6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESNc1c(C2CC2)ccc2c1OCCO2
InChIInChI=1S/C11H13NO2/c12-10-8(7-1-2-7)3-4-9-11(10)14-6-5-13-9/h3-4,7H,1-2,5-6,12H2
InChIKeyRMNOCWXJEBWXOT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.92
Rot. Bonds1

About 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine

6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine (PubChem CID 178072510) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine.

Molecular Properties

Compound Name6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
PubChem CID178072510
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESNc1c(C2CC2)ccc2c1OCCO2
InChIInChI=1S/C11H13NO2/c12-10-8(7-1-2-7)3-4-9-11(10)14-6-5-13-9/h3-4,7H,1-2,5-6,12H2
InChIKeyRMNOCWXJEBWXOT-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2,6-dicyclopropylaniline
CID 129249080
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
2,3-dihydro-1,4-benzodioxin-5-amine;ethane
CID 170590929
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
8-amino-3,4,5,6-tetrahydro-2H-1,7-benzodioxonine-9-carbaldehyde
CID 166812127
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
2-bromo-6-cyclopropylaniline
CID 155970280
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride
CID 82019296
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
CID 82623069

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine?
The IUPAC name of 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine (CID 178072510) is 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine.
What is the SMILES notation for 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine?
The canonical SMILES for 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine is Nc1c(C2CC2)ccc2c1OCCO2.
What is the InChIKey of 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine?
The InChIKey is RMNOCWXJEBWXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-10-8(7-1-2-7)3-4-9-11(10)14-6-5-13-9/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine?
6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine has a molecular weight of 191.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine is sourced from PubChem (CID 178072510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).