6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine

C11H15NO3 — CID 43247834

IUPAC6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCCCOc1cc2c(cc1N)OCCO2
InChIInChI=1S/C11H15NO3/c1-2-3-13-9-7-11-10(6-8(9)12)14-4-5-15-11/h6-7H,2-5,12H2,1H3
InChIKeyPPIPVQYQBUFMAI-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.83
Rot. Bonds3

About 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine

6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43247834) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43247834
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCCCOc1cc2c(cc1N)OCCO2
InChIInChI=1S/C11H15NO3/c1-2-3-13-9-7-11-10(6-8(9)12)14-4-5-15-11/h6-7H,2-5,12H2,1H3
InChIKeyPPIPVQYQBUFMAI-UHFFFAOYSA-N
XLogP1.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine 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

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 112587056
6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103400876
6-(4,4,4-trifluorobutoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 82789711
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol
CID 126515156
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 65126828
4-propoxybenzene-1,3-diamine
CID 69462115
7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260155
6-(3,5-dimethylcyclohexyl)oxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 64729566
6-(4-bromo-3,5-dimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 107722585
4-methyl-2-propoxyaniline
CID 24698653
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43247834) is 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine is CCCOc1cc2c(cc1N)OCCO2.
What is the InChIKey of 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is PPIPVQYQBUFMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-13-9-7-11-10(6-8(9)12)14-4-5-15-11/h6-7H,2-5,12H2,1H3.
What are the key properties of 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine?
6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 209.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43247834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).