1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol

C23H32N2O3 — CID 45169710

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol (PubChem CID 45169710) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
• PubChem CID: 45169710
• Molecular Formula: C23H32N2O3
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.24
• IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
• SMILES: COCCN(C)Cc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
• InChI: InChI=1S/C23H32N2O3/c1-24(12-13-27-2)15-19-6-5-9-23(14-19)28-18-22(26)17-25-11-10-20-7-3-4-8-21(20)16-25/h3-9,14,22,26H,10-13,15-18H2,1-2H3
• InChIKey: PPWLMXZSUDBVLL-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol?

The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol (CID 45169710) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol is COCCN(C)Cc1cccc(OCC(O)CN2CCc3ccccc3C2)c1.

What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol?

The InChIKey is PPWLMXZSUDBVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-24(12-13-27-2)15-19-6-5-9-23(14-19)28-18-22(26)17-25-11-10-20-7-3-4-8-21(20)16-25/h3-9,14,22,26H,10-13,15-18H2,1-2H3.

What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol?

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45169710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).