2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate

C77H130F3N3O18S — CID 159229703

About 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate

2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate (PubChem CID 159229703) has the molecular formula C77H130F3N3O18S and a molecular weight of 1474.95 g/mol. Its IUPAC name is 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate.

Molecular Properties

• Compound Name: 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate
• PubChem CID: 159229703
• Molecular Formula: C77H130F3N3O18S
• Molecular Weight: 1474.95 g/mol
• Exact Mass: 1473.90
• IUPAC Name: 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate
• SMILES: CC(C)(OCCO)C(F)CN(Cc1ccccc1)Cc1ccccc1.CCCOCCOCCOCCOCCOC(C)(C)C(F)CN.CCCOCCOCCOCCOCCOC(C)(C)C(F)CN(Cc1ccccc1)Cc1ccccc1.CCCOCCOCCOCCOS(C)(=O)=O
• InChI: InChI=1S/C30H46FNO5.C21H28FNO2.C16H34FNO5.C10H22O6S/c1-4-15-33-16-17-34-18-19-35-20-21-36-22-23-37-30(2,3)29(31)26-32(24-27-11-7-5-8-12-27)25-28-13-9-6-10-14-28;1-21(2,25-14-13-24)20(22)17-23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19;1-4-5-19-6-7-20-8-9-21-10-11-22-12-13-23-16(2,3)15(17)14-18;1-3-4-13-5-6-14-7-8-15-9-10-16-17(2,11)12/h5-14,29H,4,15-26H2,1-3H3;3-12,20,24H,13-17H2,1-2H3;15H,4-14,18H2,1-3H3;3-10H2,1-2H3
• InChIKey: KSSXYWRRDSBDSU-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 225.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 61
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.95
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate?

The IUPAC name of 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate (CID 159229703) is 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate.

What is the SMILES notation for 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate?

The canonical SMILES for 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate is CC(C)(OCCO)C(F)CN(Cc1ccccc1)Cc1ccccc1.CCCOCCOCCOCCOCCOC(C)(C)C(F)CN.CCCOCCOCCOCCOCCOC(C)(C)C(F)CN(Cc1ccccc1)Cc1ccccc1.CCCOCCOCCOCCOS(C)(=O)=O.

What is the InChIKey of 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate?

The InChIKey is KSSXYWRRDSBDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46FNO5.C21H28FNO2.C16H34FNO5.C10H22O6S/c1-4-15-33-16-17-34-18-19-35-20-21-36-22-23-37-30(2,3)29(31)26-32(24-27-11-7-5-8-12-27)25-28-13-9-6-10-14-28;1-21(2,25-14-13-24)20(22)17-23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19;1-4-5-19-6-7-20-8-9-21-10-11-22-12-13-23-16(2,3)15(17)14-18;1-3-4-13-5-6-14-7-8-15-9-10-16-17(2,11)12/h5-14,29H,4,15-26H2,1-3H3;3-12,20,24H,13-17H2,1-2H3;15H,4-14,18H2,1-3H3;3-10H2,1-2H3.

What are the key properties of 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate?

2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate has a molecular weight of 1474.95 g/mol, XLogP of 11.09, 61 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 159229703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).