(2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

C21H36N2O4 — CID 97275346

About (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

(2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (PubChem CID 97275346) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
• PubChem CID: 97275346
• Molecular Formula: C21H36N2O4
• Molecular Weight: 380.53 g/mol
• Exact Mass: 380.27
• IUPAC Name: (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
• SMILES: COc1cc(CN2CCOC(C)(C)C2)ccc1OC[C@H](O)CN(C)C(C)C
• InChI: InChI=1S/C21H36N2O4/c1-16(2)22(5)13-18(24)14-26-19-8-7-17(11-20(19)25-6)12-23-9-10-27-21(3,4)15-23/h7-8,11,16,18,24H,9-10,12-15H2,1-6H3/t18-/m1/s1
• InChIKey: RURUUTFORVUJAJ-GOSISDBHSA-N
• XLogP: 2.39
• TPSA: 54.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.53
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The IUPAC name of (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (CID 97275346) is (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The canonical SMILES for (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is COc1cc(CN2CCOC(C)(C)C2)ccc1OC[C@H](O)CN(C)C(C)C.

What is the InChIKey of (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The InChIKey is RURUUTFORVUJAJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-16(2)22(5)13-18(24)14-26-19-8-7-17(11-20(19)25-6)12-23-9-10-27-21(3,4)15-23/h7-8,11,16,18,24H,9-10,12-15H2,1-6H3/t18-/m1/s1.

What are the key properties of (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

(2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 380.53 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 97275346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).