(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C21H27F2NO2 — CID 93164162

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

(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 93164162) has the molecular formula C21H27F2NO2 and a molecular weight of 363.45 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
• PubChem CID: 93164162
• Molecular Formula: C21H27F2NO2
• Molecular Weight: 363.45 g/mol
• Exact Mass: 363.20
• IUPAC Name: (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
• SMILES: CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccccc1F
• InChI: InChI=1S/C21H27F2NO2/c1-16(2)14-26-15-20(25)13-24(11-17-7-9-19(22)10-8-17)12-18-5-3-4-6-21(18)23/h3-10,16,20,25H,11-15H2,1-2H3/t20-/m1/s1
• InChIKey: HPUKPADJXQPSJB-HXUWFJFHSA-N
• XLogP: 4.00
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.45
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 93164162) is (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

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

The canonical SMILES for (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccccc1F.

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

The InChIKey is HPUKPADJXQPSJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27F2NO2/c1-16(2)14-26-15-20(25)13-24(11-17-7-9-19(22)10-8-17)12-18-5-3-4-6-21(18)23/h3-10,16,20,25H,11-15H2,1-2H3/t20-/m1/s1.

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

(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 363.45 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 93164162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).