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

C17H19NO3 — CID 43345537

IUPAC6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCc1ccc(C)c(Oc2cc3c(cc2N)OCCO3)c1C
InChIInChI=1S/C17H19NO3/c1-10-4-5-11(2)17(12(10)3)21-14-9-16-15(8-13(14)18)19-6-7-20-16/h4-5,8-9H,6-7,18H2,1-3H3
InChIKeyILWLWFFVQUJHJO-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.76
Rot. Bonds2

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

6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43345537) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43345537
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCc1ccc(C)c(Oc2cc3c(cc2N)OCCO3)c1C
InChIInChI=1S/C17H19NO3/c1-10-4-5-11(2)17(12(10)3)21-14-9-16-15(8-13(14)18)19-6-7-20-16/h4-5,8-9H,6-7,18H2,1-3H3
InChIKeyILWLWFFVQUJHJO-UHFFFAOYSA-N
XLogP3.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2,3,6-trimethylphenoxy)-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-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102980224
6-(4-bromo-3,5-dimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 107722585
4-bromo-2-(2,3,6-trimethylphenoxy)aniline
CID 65342539
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43144876
7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43259900
6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43247834
2-nitro-3-(2,3,6-trimethylphenoxy)aniline
CID 80875148
6-(3,5-dimethylcyclohexyl)oxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 64729566
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 112587056
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 65126828
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43345537) is 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine is Cc1ccc(C)c(Oc2cc3c(cc2N)OCCO3)c1C.
What is the InChIKey of 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is ILWLWFFVQUJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-4-5-11(2)17(12(10)3)21-14-9-16-15(8-13(14)18)19-6-7-20-16/h4-5,8-9H,6-7,18H2,1-3H3.
What are the key properties of 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 285.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43345537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).