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

C15H21NO3 — CID 107136441

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1CCCOC1)C1COc2ccccc2O1
InChIInChI=1S/C15H21NO3/c1-16-15(11-5-4-8-17-9-11)14-10-18-12-6-2-3-7-13(12)19-14/h2-3,6-7,11,14-16H,4-5,8-10H2,1H3
InChIKeyDSIFXJKWCZYCRY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107136441) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107136441
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1CCCOC1)C1COc2ccccc2O1
InChIInChI=1S/C15H21NO3/c1-16-15(11-5-4-8-17-9-11)14-10-18-12-6-2-3-7-13(12)19-14/h2-3,6-7,11,14-16H,4-5,8-10H2,1H3
InChIKeyDSIFXJKWCZYCRY-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107136441) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(C1CCCOC1)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is DSIFXJKWCZYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-15(11-5-4-8-17-9-11)14-10-18-12-6-2-3-7-13(12)19-14/h2-3,6-7,11,14-16H,4-5,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107136441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).