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

C8H8ClNO2 — CID 6484252

IUPAC6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C8H8ClNO2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,10H2
InChIKeyILWFWTIQKGSLGF-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.69
Rot. Bonds

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

6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 6484252) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID6484252
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C8H8ClNO2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,10H2
InChIKeyILWFWTIQKGSLGF-UHFFFAOYSA-N
XLogP1.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine (CID 6484252) is 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine is Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is ILWFWTIQKGSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,10H2.
What are the key properties of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine?
6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 185.61 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 6484252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).