2,3-dihydro-1,4-benzodioxin-5-amine;ethane

C10H15NO2 — CID 170590929

IUPAC2,3-dihydro-1,4-benzodioxin-5-amine;ethane
SMILESCC.Nc1cccc2c1OCCO2
InChIInChI=1S/C8H9NO2.C2H6/c9-6-2-1-3-7-8(6)11-5-4-10-7;1-2/h1-3H,4-5,9H2;1-2H3
InChIKeyDNMNFVGGIOOTKV-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.07
Rot. Bonds

About 2,3-dihydro-1,4-benzodioxin-5-amine;ethane

2,3-dihydro-1,4-benzodioxin-5-amine;ethane (PubChem CID 170590929) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-amine;ethane.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-amine;ethane
PubChem CID170590929
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-amine;ethane
SMILESCC.Nc1cccc2c1OCCO2
InChIInChI=1S/C8H9NO2.C2H6/c9-6-2-1-3-7-8(6)11-5-4-10-7;1-2/h1-3H,4-5,9H2;1-2H3
InChIKeyDNMNFVGGIOOTKV-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.07
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

3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol
CID 22173803
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614559
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
4,4-difluoro-2,3-dihydrochromen-8-amine
CID 84659928
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
5-(3-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 11780152
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-amine;ethane?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-amine;ethane (CID 170590929) is 2,3-dihydro-1,4-benzodioxin-5-amine;ethane.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-amine;ethane?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-amine;ethane is CC.Nc1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-amine;ethane?
The InChIKey is DNMNFVGGIOOTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c9-6-2-1-3-7-8(6)11-5-4-10-7;1-2/h1-3H,4-5,9H2;1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-amine;ethane?
2,3-dihydro-1,4-benzodioxin-5-amine;ethane has a molecular weight of 181.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-amine;ethane is sourced from PubChem (CID 170590929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).