(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C23H26FNO4 — CID 93164009

About (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93164009) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• PubChem CID: 93164009
• Molecular Formula: C23H26FNO4
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.18
• IUPAC Name: (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• SMILES: COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)cc1
• InChI: InChI=1S/C23H26FNO4/c1-27-22-10-6-19(7-11-22)14-25(13-18-4-8-20(24)9-5-18)15-21(26)16-28-17-23-3-2-12-29-23/h2-12,21,26H,13-17H2,1H3/t21-/m1/s1
• InChIKey: CARJHXYSVOFTEW-OAQYLSRUSA-N
• XLogP: 4.01
• TPSA: 55.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93164009) is (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)cc1.

What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The InChIKey is CARJHXYSVOFTEW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-27-22-10-6-19(7-11-22)14-25(13-18-4-8-20(24)9-5-18)15-21(26)16-28-17-23-3-2-12-29-23/h2-12,21,26H,13-17H2,1H3/t21-/m1/s1.

What are the key properties of (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 399.46 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93164009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).