(4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine

C10H15NO2 — CID 142779375

IUPAC(4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine
SMILESCC12CC(CN)=CC=C1OCCO2
InChIInChI=1S/C10H15NO2/c1-10-6-8(7-11)2-3-9(10)12-4-5-13-10/h2-3H,4-7,11H2,1H3
InChIKeyBWBHDHHYMMZUPM-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.96
Rot. Bonds1

About (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine

(4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine (PubChem CID 142779375) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound Name(4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine
PubChem CID142779375
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine
SMILESCC12CC(CN)=CC=C1OCCO2
InChIInChI=1S/C10H15NO2/c1-10-6-8(7-11)2-3-9(10)12-4-5-13-10/h2-3H,4-7,11H2,1H3
InChIKeyBWBHDHHYMMZUPM-UHFFFAOYSA-N
XLogP0.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine (CID 142779375) is (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine is CC12CC(CN)=CC=C1OCCO2.
What is the InChIKey of (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is BWBHDHHYMMZUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10-6-8(7-11)2-3-9(10)12-4-5-13-10/h2-3H,4-7,11H2,1H3.
What are the key properties of (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine?
(4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 181.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-methyl-3,5-dihydro-2H-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 142779375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).