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

C8H9Cl2NO2 — CID 43810699

IUPAC6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride
SMILESCl.Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C8H8ClNO2.ClH/c9-5-3-7-8(4-6(5)10)12-2-1-11-7;/h3-4H,1-2,10H2;1H
InChIKeyYJIYYMLVZMYMSL-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.12
Rot. Bonds

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

6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride (PubChem CID 43810699) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride
PubChem CID43810699
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride
SMILESCl.Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C8H8ClNO2.ClH/c9-5-3-7-8(4-6(5)10)12-2-1-11-7;/h3-4H,1-2,10H2;1H
InChIKeyYJIYYMLVZMYMSL-UHFFFAOYSA-N
XLogP2.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.12
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;hydrochloride?
The IUPAC name of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride (CID 43810699) is 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride.
What is the SMILES notation for 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride?
The canonical SMILES for 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride is Cl.Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride?
The InChIKey is YJIYYMLVZMYMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.ClH/c9-5-3-7-8(4-6(5)10)12-2-1-11-7;/h3-4H,1-2,10H2;1H.
What are the key properties of 6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride?
6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 2.12, 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;hydrochloride is sourced from PubChem (CID 43810699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).