6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine

C13H12N2O3 — CID 43144876

IUPAC6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1Oc1cccnc1)OCCO2
InChIInChI=1S/C13H12N2O3/c14-10-6-12-13(17-5-4-16-12)7-11(10)18-9-2-1-3-15-8-9/h1-3,6-8H,4-5,14H2
InChIKeyYWBSATNHFPMSNC-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.23
Rot. Bonds2

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

6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43144876) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43144876
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1Oc1cccnc1)OCCO2
InChIInChI=1S/C13H12N2O3/c14-10-6-12-13(17-5-4-16-12)7-11(10)18-9-2-1-3-15-8-9/h1-3,6-8H,4-5,14H2
InChIKeyYWBSATNHFPMSNC-UHFFFAOYSA-N
XLogP2.23
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-pyridin-3-yloxy-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

4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307
5-bromo-2-pyridin-3-yloxyaniline
CID 26190498
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19146525
6-(4-bromo-3,5-dimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 107722585
4-amino-N,N-dimethyl-3-pyridin-3-yloxybenzamide
CID 63358470
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717
6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43345537
6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102980224
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
2,6-dipyridin-3-yloxyphenol
CID 139940524

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43144876) is 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine is Nc1cc2c(cc1Oc1cccnc1)OCCO2.
What is the InChIKey of 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is YWBSATNHFPMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-10-6-12-13(17-5-4-16-12)7-11(10)18-9-2-1-3-15-8-9/h1-3,6-8H,4-5,14H2.
What are the key properties of 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine?
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 244.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43144876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).