2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine

C23H27NO3 — CID 67875847

IUPAC2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine
SMILESCN(CCc1ccc2c(c1)OCC2)C[C@@H]1CCCc2c1ccc1c2OCO1
InChIInChI=1S/C23H27NO3/c1-24(11-9-16-5-6-17-10-12-25-22(17)13-16)14-18-3-2-4-20-19(18)7-8-21-23(20)27-15-26-21/h5-8,13,18H,2-4,9-12,14-15H2,1H3/t18-/m0/s1
InChIKeyQBSGHSQJNOPAAN-SFHVURJKSA-N
MW365.47 g/mol
LogP3.94
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine

2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine (PubChem CID 67875847) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine
PubChem CID67875847
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine
SMILESCN(CCc1ccc2c(c1)OCC2)C[C@@H]1CCCc2c1ccc1c2OCO1
InChIInChI=1S/C23H27NO3/c1-24(11-9-16-5-6-17-10-12-25-22(17)13-16)14-18-3-2-4-20-19(18)7-8-21-23(20)27-15-26-21/h5-8,13,18H,2-4,9-12,14-15H2,1H3/t18-/m0/s1
InChIKeyQBSGHSQJNOPAAN-SFHVURJKSA-N
XLogP3.94
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine (CID 67875847) is 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine is CN(CCc1ccc2c(c1)OCC2)C[C@@H]1CCCc2c1ccc1c2OCO1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine?
The InChIKey is QBSGHSQJNOPAAN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27NO3/c1-24(11-9-16-5-6-17-10-12-25-22(17)13-16)14-18-3-2-4-20-19(18)7-8-21-23(20)27-15-26-21/h5-8,13,18H,2-4,9-12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine?
2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine has a molecular weight of 365.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine is sourced from PubChem (CID 67875847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).