(2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol

C22H27F2NO2 — CID 53471614

About (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol

(2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol (PubChem CID 53471614) has the molecular formula C22H27F2NO2 and a molecular weight of 375.46 g/mol. Its IUPAC name is (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol
• PubChem CID: 53471614
• Molecular Formula: C22H27F2NO2
• Molecular Weight: 375.46 g/mol
• Exact Mass: 375.20
• IUPAC Name: (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol
• SMILES: CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(F)c1F
• InChI: InChI=1S/C22H27F2NO2/c1-22(2,12-15-10-16-6-3-4-7-17(16)11-15)25-13-18(26)14-27-20-9-5-8-19(23)21(20)24/h3-9,15,18,25-26H,10-14H2,1-2H3/t18-/m1/s1
• InChIKey: LEXVQSIYVIORBF-GOSISDBHSA-N
• XLogP: 3.88
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.46
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol?

The IUPAC name of (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol (CID 53471614) is (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol.

What is the SMILES notation for (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol?

The canonical SMILES for (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol is CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(F)c1F.

What is the InChIKey of (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol?

The InChIKey is LEXVQSIYVIORBF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27F2NO2/c1-22(2,12-15-10-16-6-3-4-7-17(16)11-15)25-13-18(26)14-27-20-9-5-8-19(23)21(20)24/h3-9,15,18,25-26H,10-14H2,1-2H3/t18-/m1/s1.

What are the key properties of (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol?

(2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol has a molecular weight of 375.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 53471614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).