(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol

C20H26ClNO4 — CID 98628192

About (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol

(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol (PubChem CID 98628192) has the molecular formula C20H26ClNO4 and a molecular weight of 379.88 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
• PubChem CID: 98628192
• Molecular Formula: C20H26ClNO4
• Molecular Weight: 379.88 g/mol
• Exact Mass: 379.16
• IUPAC Name: (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
• SMILES: Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)o1
• InChI: InChI=1S/C20H26ClNO4/c1-15-4-7-20(26-15)13-22(12-19-3-2-10-24-19)11-17(23)14-25-18-8-5-16(21)6-9-18/h4-9,17,19,23H,2-3,10-14H2,1H3/t17-,19+/m1/s1
• InChIKey: DACNBNGKZFVVEA-MJGOQNOKSA-N
• XLogP: 3.66
• 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	379.88
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol?

The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol (CID 98628192) is (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol.

What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol?

The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol is Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)o1.

What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol?

The InChIKey is DACNBNGKZFVVEA-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H26ClNO4/c1-15-4-7-20(26-15)13-22(12-19-3-2-10-24-19)11-17(23)14-25-18-8-5-16(21)6-9-18/h4-9,17,19,23H,2-3,10-14H2,1H3/t17-,19+/m1/s1.

What are the key properties of (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol?

(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol has a molecular weight of 379.88 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 98628192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).