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

C9H11NO2 — CID 3146110

IUPACN-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H11NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6,10H,4-5H2,1H3
InChIKeyPFIIOMYDQZYTJG-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.50
Rot. Bonds1

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

N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 3146110) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID3146110
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H11NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6,10H,4-5H2,1H3
InChIKeyPFIIOMYDQZYTJG-UHFFFAOYSA-N
XLogP1.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 3146110) is N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine is CNc1ccc2c(c1)OCCO2.
What is the InChIKey of N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is PFIIOMYDQZYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 165.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 3146110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).