(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C24H28FNO3 — CID 93164737

About (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93164737) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• PubChem CID: 93164737
• Molecular Formula: C24H28FNO3
• Molecular Weight: 397.49 g/mol
• Exact Mass: 397.21
• IUPAC Name: (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• SMILES: Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c1
• InChI: InChI=1S/C24H28FNO3/c1-18-5-6-19(2)21(12-18)14-26(13-20-7-9-22(25)10-8-20)15-23(27)16-28-17-24-4-3-11-29-24/h3-12,23,27H,13-17H2,1-2H3/t23-/m1/s1
• InChIKey: RMICWCMZWZBILZ-HSZRJFAPSA-N
• XLogP: 4.62
• TPSA: 45.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The IUPAC name of (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93164737) is (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c1.

What is the InChIKey of (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The InChIKey is RMICWCMZWZBILZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-18-5-6-19(2)21(12-18)14-26(13-20-7-9-22(25)10-8-20)15-23(27)16-28-17-24-4-3-11-29-24/h3-12,23,27H,13-17H2,1-2H3/t23-/m1/s1.

What are the key properties of (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 397.49 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93164737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).