6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine

C9H11ClN2O2 — CID 89396975

IUPAC6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
SMILESCC1COc2c(N)cc(Cl)c(N)c2O1
InChIInChI=1S/C9H11ClN2O2/c1-4-3-13-8-6(11)2-5(10)7(12)9(8)14-4/h2,4H,3,11-12H2,1H3
InChIKeyOSKMEDYFKKCZBV-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.66
Rot. Bonds

About 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine

6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine (PubChem CID 89396975) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine.

Molecular Properties

Compound Name6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
PubChem CID89396975
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
SMILESCC1COc2c(N)cc(Cl)c(N)c2O1
InChIInChI=1S/C9H11ClN2O2/c1-4-3-13-8-6(11)2-5(10)7(12)9(8)14-4/h2,4H,3,11-12H2,1H3
InChIKeyOSKMEDYFKKCZBV-UHFFFAOYSA-N
XLogP1.66
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine?
The IUPAC name of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine (CID 89396975) is 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine.
What is the SMILES notation for 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine?
The canonical SMILES for 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine is CC1COc2c(N)cc(Cl)c(N)c2O1.
What is the InChIKey of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine?
The InChIKey is OSKMEDYFKKCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-4-3-13-8-6(11)2-5(10)7(12)9(8)14-4/h2,4H,3,11-12H2,1H3.
What are the key properties of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine?
6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine has a molecular weight of 214.65 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine is sourced from PubChem (CID 89396975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).