2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine

C16H23NO3 — CID 61251441

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine
SMILESCC(C)CC1COC(c2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C16H23NO3/c1-11(2)7-13-10-20-16(9-17-13)12-3-4-14-15(8-12)19-6-5-18-14/h3-4,8,11,13,16-17H,5-7,9-10H2,1-2H3
InChIKeyUXLRMWUNFMURJY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine (PubChem CID 61251441) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine
PubChem CID61251441
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine
SMILESCC(C)CC1COC(c2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C16H23NO3/c1-11(2)7-13-10-20-16(9-17-13)12-3-4-14-15(8-12)19-6-5-18-14/h3-4,8,11,13,16-17H,5-7,9-10H2,1-2H3
InChIKeyUXLRMWUNFMURJY-UHFFFAOYSA-N
XLogP2.53
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine (CID 61251441) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine is CC(C)CC1COC(c2ccc3c(c2)OCCO3)CN1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine?
The InChIKey is UXLRMWUNFMURJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)7-13-10-20-16(9-17-13)12-3-4-14-15(8-12)19-6-5-18-14/h3-4,8,11,13,16-17H,5-7,9-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine has a molecular weight of 277.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine is sourced from PubChem (CID 61251441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).