1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C23H33NO4 — CID 46007829

About 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 46007829) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
• PubChem CID: 46007829
• Molecular Formula: C23H33NO4
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.24
• IUPAC Name: 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
• SMILES: COc1cccc(CN(Cc2ccccc2)CC(O)COC(C)(C)C)c1OC
• InChI: InChI=1S/C23H33NO4/c1-23(2,3)28-17-20(25)16-24(14-18-10-7-6-8-11-18)15-19-12-9-13-21(26-4)22(19)27-5/h6-13,20,25H,14-17H2,1-5H3
• InChIKey: KJJCSUZGEAJQOS-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 51.16 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	387.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The IUPAC name of 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 46007829) is 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

What is the SMILES notation for 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The canonical SMILES for 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COc1cccc(CN(Cc2ccccc2)CC(O)COC(C)(C)C)c1OC.

What is the InChIKey of 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The InChIKey is KJJCSUZGEAJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-23(2,3)28-17-20(25)16-24(14-18-10-7-6-8-11-18)15-19-12-9-13-21(26-4)22(19)27-5/h6-13,20,25H,14-17H2,1-5H3.

What are the key properties of 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 387.52 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 46007829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).