(2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C19H25F2NO3 — CID 93164792

About (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 93164792) has the molecular formula C19H25F2NO3 and a molecular weight of 353.41 g/mol. Its IUPAC name is (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
• PubChem CID: 93164792
• Molecular Formula: C19H25F2NO3
• Molecular Weight: 353.41 g/mol
• Exact Mass: 353.18
• IUPAC Name: (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
• SMILES: CC(C)(C)OC[C@H](O)CN(Cc1ccco1)Cc1ccc(F)cc1F
• InChI: InChI=1S/C19H25F2NO3/c1-19(2,3)25-13-16(23)11-22(12-17-5-4-8-24-17)10-14-6-7-15(20)9-18(14)21/h4-9,16,23H,10-13H2,1-3H3/t16-/m1/s1
• InChIKey: RTSUQDBJWHONAE-MRXNPFEDSA-N
• XLogP: 3.74
• TPSA: 45.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.41
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 93164792) is (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

What is the SMILES notation for (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The canonical SMILES for (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OC[C@H](O)CN(Cc1ccco1)Cc1ccc(F)cc1F.

What is the InChIKey of (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The InChIKey is RTSUQDBJWHONAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25F2NO3/c1-19(2,3)25-13-16(23)11-22(12-17-5-4-8-24-17)10-14-6-7-15(20)9-18(14)21/h4-9,16,23H,10-13H2,1-3H3/t16-/m1/s1.

What are the key properties of (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

(2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 353.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 93164792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).