1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine

C23H30N2O3 — CID 25474874

About 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine

1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine (PubChem CID 25474874) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
• PubChem CID: 25474874
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
• SMILES: COc1cc2c(cc1CNC[C@@H]1CN(Cc3ccccc3)CCO1)O[C@H](C)C2
• InChI: InChI=1S/C23H30N2O3/c1-17-10-19-11-22(26-2)20(12-23(19)28-17)13-24-14-21-16-25(8-9-27-21)15-18-6-4-3-5-7-18/h3-7,11-12,17,21,24H,8-10,13-16H2,1-2H3/t17-,21-/m1/s1
• InChIKey: FHWHWLGVGYZUEN-DYESRHJHSA-N
• XLogP: 3.01
• TPSA: 42.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine?

The IUPAC name of 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine (CID 25474874) is 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine.

What is the SMILES notation for 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine?

The canonical SMILES for 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine is COc1cc2c(cc1CNC[C@@H]1CN(Cc3ccccc3)CCO1)O[C@H](C)C2.

What is the InChIKey of 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine?

The InChIKey is FHWHWLGVGYZUEN-DYESRHJHSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-10-19-11-22(26-2)20(12-23(19)28-17)13-24-14-21-16-25(8-9-27-21)15-18-6-4-3-5-7-18/h3-7,11-12,17,21,24H,8-10,13-16H2,1-2H3/t17-,21-/m1/s1.

What are the key properties of 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine?

1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine has a molecular weight of 382.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine is sourced from PubChem (CID 25474874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).