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

C9H11NO2 — CID 5136721

IUPAC7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C9H11NO2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5H,2-3,10H2,1H3
InChIKeyARAHLXHMPGGAEQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.35
Rot. Bonds

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

7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 5136721) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID5136721
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C9H11NO2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5H,2-3,10H2,1H3
InChIKeyARAHLXHMPGGAEQ-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.35
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 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 5136721) is 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine is Cc1cc2c(cc1N)OCCO2.
What is the InChIKey of 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is ARAHLXHMPGGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5H,2-3,10H2,1H3.
What are the key properties of 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 165.19 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 5136721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).