(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol

C21H29NO4 — CID 93161955

About (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol

(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 93161955) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
• PubChem CID: 93161955
• Molecular Formula: C21H29NO4
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.21
• IUPAC Name: (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
• SMILES: Cc1ccc(CN(C[C@@H](O)COc2ccccc2C)C[C@@H]2CCCO2)o1
• InChI: InChI=1S/C21H29NO4/c1-16-6-3-4-8-21(16)25-15-18(23)12-22(13-19-7-5-11-24-19)14-20-10-9-17(2)26-20/h3-4,6,8-10,18-19,23H,5,7,11-15H2,1-2H3/t18-,19+/m1/s1
• InChIKey: BKIUAPLZXGUSCB-MOPGFXCFSA-N
• XLogP: 3.32
• TPSA: 55.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol?

The IUPAC name of (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 93161955) is (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccc(CN(C[C@@H](O)COc2ccccc2C)C[C@@H]2CCCO2)o1.

What is the InChIKey of (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol?

The InChIKey is BKIUAPLZXGUSCB-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H29NO4/c1-16-6-3-4-8-21(16)25-15-18(23)12-22(13-19-7-5-11-24-19)14-20-10-9-17(2)26-20/h3-4,6,8-10,18-19,23H,5,7,11-15H2,1-2H3/t18-,19+/m1/s1.

What are the key properties of (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol?

(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 359.47 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 93161955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).