(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol

C21H29NO4 — CID 129424339

About (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol

(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol (PubChem CID 129424339) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
• PubChem CID: 129424339
• Molecular Formula: C21H29NO4
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.21
• IUPAC Name: (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
• SMILES: Cc1ccccc1CN(C[C@@H](O)COCc1ccco1)C[C@H]1CCCO1
• InChI: InChI=1S/C21H29NO4/c1-17-6-2-3-7-18(17)12-22(14-20-8-4-10-25-20)13-19(23)15-24-16-21-9-5-11-26-21/h2-3,5-7,9,11,19-20,23H,4,8,10,12-16H2,1H3/t19-,20-/m1/s1
• InChIKey: IRJQJKNGCOPVSJ-WOJBJXKFSA-N
• XLogP: 3.15
• TPSA: 55.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol?

The IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol (CID 129424339) is (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol.

What is the SMILES notation for (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol?

The canonical SMILES for (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol is Cc1ccccc1CN(C[C@@H](O)COCc1ccco1)C[C@H]1CCCO1.

What is the InChIKey of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol?

The InChIKey is IRJQJKNGCOPVSJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H29NO4/c1-17-6-2-3-7-18(17)12-22(14-20-8-4-10-25-20)13-19(23)15-24-16-21-9-5-11-26-21/h2-3,5-7,9,11,19-20,23H,4,8,10,12-16H2,1H3/t19-,20-/m1/s1.

What are the key properties of (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol?

(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol has a molecular weight of 359.47 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 129424339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).