1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine

C10H13NO2 — CID 16714

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
SMILESCNCC1COc2ccccc2O1
InChIInChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3
InChIKeyRPZMFKMYOVWSQN-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.05
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine (PubChem CID 16714) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
PubChem CID16714
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
SMILESCNCC1COc2ccccc2O1
InChIInChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3
InChIKeyRPZMFKMYOVWSQN-UHFFFAOYSA-N
XLogP1.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine (CID 16714) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine is CNCC1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
The InChIKey is RPZMFKMYOVWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine has a molecular weight of 179.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 16714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).