(2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

C26H36N2O4 — CID 129421443

About (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

(2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 129421443) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
• PubChem CID: 129421443
• Molecular Formula: C26H36N2O4
• Molecular Weight: 440.58 g/mol
• Exact Mass: 440.27
• IUPAC Name: (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
• SMILES: COc1ccc([C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)N2CCOCC2)cc1
• InChI: InChI=1S/C26H36N2O4/c1-30-23-11-9-21(10-12-23)25(28-13-15-31-16-14-28)18-27-17-22(29)19-32-26-8-4-6-20-5-2-3-7-24(20)26/h2-3,5,7,9-12,22,25-27,29H,4,6,8,13-19H2,1H3/t22-,25+,26+/m1/s1
• InChIKey: QDHVRJOFGZJHSY-RZFJZAQRSA-N
• XLogP: 3.11
• TPSA: 63.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.58
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?

The IUPAC name of (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 129421443) is (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

What is the SMILES notation for (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?

The canonical SMILES for (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is COc1ccc([C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)N2CCOCC2)cc1.

What is the InChIKey of (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?

The InChIKey is QDHVRJOFGZJHSY-RZFJZAQRSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-30-23-11-9-21(10-12-23)25(28-13-15-31-16-14-28)18-27-17-22(29)19-32-26-8-4-6-20-5-2-3-7-24(20)26/h2-3,5,7,9-12,22,25-27,29H,4,6,8,13-19H2,1H3/t22-,25+,26+/m1/s1.

What are the key properties of (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?

(2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 440.58 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 129421443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).