1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol

C19H21F2NO2 — CID 167927492

About 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol

1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol (PubChem CID 167927492) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol
• PubChem CID: 167927492
• Molecular Formula: C19H21F2NO2
• Molecular Weight: 333.38 g/mol
• Exact Mass: 333.15
• IUPAC Name: 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol
• SMILES: CC1Cc2cc(-c3ccc(CNCC(O)C(F)F)cc3)ccc2O1
• InChI: InChI=1S/C19H21F2NO2/c1-12-8-16-9-15(6-7-18(16)24-12)14-4-2-13(3-5-14)10-22-11-17(23)19(20)21/h2-7,9,12,17,19,22-23H,8,10-11H2,1H3
• InChIKey: XIVGJWBXGDJGGM-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.38
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol?

The IUPAC name of 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol (CID 167927492) is 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol.

What is the SMILES notation for 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol?

The canonical SMILES for 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol is CC1Cc2cc(-c3ccc(CNCC(O)C(F)F)cc3)ccc2O1.

What is the InChIKey of 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol?

The InChIKey is XIVGJWBXGDJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-12-8-16-9-15(6-7-18(16)24-12)14-4-2-13(3-5-14)10-22-11-17(23)19(20)21/h2-7,9,12,17,19,22-23H,8,10-11H2,1H3.

What are the key properties of 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol?

1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol has a molecular weight of 333.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 167927492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).