6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine

C19H23N3O3 — CID 110112418

IUPAC6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine
SMILESCNc1cccc(C2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1
InChIInChI=1S/C19H23N3O3/c1-20-19-4-2-3-15(21-19)18-13-22(7-8-23-18)12-14-5-6-16-17(11-14)25-10-9-24-16/h2-6,11,18H,7-10,12-13H2,1H3,(H,20,21)
InChIKeyVEKGZMRXYUYRGY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds4

About 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine

6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine (PubChem CID 110112418) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine
PubChem CID110112418
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine
SMILESCNc1cccc(C2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1
InChIInChI=1S/C19H23N3O3/c1-20-19-4-2-3-15(21-19)18-13-22(7-8-23-18)12-14-5-6-16-17(11-14)25-10-9-24-16/h2-6,11,18H,7-10,12-13H2,1H3,(H,20,21)
InChIKeyVEKGZMRXYUYRGY-UHFFFAOYSA-N
XLogP2.47
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine (CID 110112418) is 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine is CNc1cccc(C2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1.
What is the InChIKey of 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine?
The InChIKey is VEKGZMRXYUYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-19-4-2-3-15(21-19)18-13-22(7-8-23-18)12-14-5-6-16-17(11-14)25-10-9-24-16/h2-6,11,18H,7-10,12-13H2,1H3,(H,20,21).
What are the key properties of 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine?
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine has a molecular weight of 341.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 110112418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).