1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine

C21H26N2O4 — CID 139351637

About 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine

1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine (PubChem CID 139351637) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine.

Molecular Properties

• Compound Name: 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
• PubChem CID: 139351637
• Molecular Formula: C21H26N2O4
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.19
• IUPAC Name: 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
• SMILES: NC(C[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1COCCN1
• InChI: InChI=1S/C21H26N2O4/c22-18(19-14-24-9-8-23-19)10-17-13-26-20-7-6-16(11-21(20)27-17)25-12-15-4-2-1-3-5-15/h1-7,11,17-19,23H,8-10,12-14,22H2/t17-,18?,19?/m1/s1
• InChIKey: LFIGTMOENUHEHP-LMDPOFIKSA-N
• XLogP: 2.11
• TPSA: 74.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?

The IUPAC name of 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine (CID 139351637) is 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine.

What is the SMILES notation for 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?

The canonical SMILES for 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine is NC(C[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1COCCN1.

What is the InChIKey of 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?

The InChIKey is LFIGTMOENUHEHP-LMDPOFIKSA-N. The full InChI is InChI=1S/C21H26N2O4/c22-18(19-14-24-9-8-23-19)10-17-13-26-20-7-6-16(11-21(20)27-17)25-12-15-4-2-1-3-5-15/h1-7,11,17-19,23H,8-10,12-14,22H2/t17-,18?,19?/m1/s1.

What are the key properties of 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?

1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine has a molecular weight of 370.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine is sourced from PubChem (CID 139351637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).