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

C11H15NO2 — CID 84664778

IUPACN-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCNCc1ccc2c(c1C)OCCO2
InChIInChI=1S/C11H15NO2/c1-8-9(7-12-2)3-4-10-11(8)14-6-5-13-10/h3-4,12H,5-7H2,1-2H3
InChIKeyDDJHDYNPPXZSQZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds2

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

N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 84664778) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
PubChem CID84664778
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCNCc1ccc2c(c1C)OCCO2
InChIInChI=1S/C11H15NO2/c1-8-9(7-12-2)3-4-10-11(8)14-6-5-13-10/h3-4,12H,5-7H2,1-2H3
InChIKeyDDJHDYNPPXZSQZ-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124
O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
CID 117298628
N-methyl-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117431248
5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 146587329
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 84699356
2-(4-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84766833
4-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid
CID 117379156
2,2-dimethyl-3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 117415131
(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117359951
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
CID 82517574
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanal
CID 117314304

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 84664778) is N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is CNCc1ccc2c(c1C)OCCO2.
What is the InChIKey of N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is DDJHDYNPPXZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-9(7-12-2)3-4-10-11(8)14-6-5-13-10/h3-4,12H,5-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 84664778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).