2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol

C24H29F6NO3 — CID 162545114

About 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol

2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol (PubChem CID 162545114) has the molecular formula C24H29F6NO3 and a molecular weight of 493.49 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol.

Molecular Properties

• Compound Name: 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol
• PubChem CID: 162545114
• Molecular Formula: C24H29F6NO3
• Molecular Weight: 493.49 g/mol
• Exact Mass: 493.21
• IUPAC Name: 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol
• SMILES: CCCC(N)(CO)CCc1ccc(OCCCc2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H29F6NO3/c1-2-11-22(31,16-32)12-10-18-8-9-21(20(15-18)23(25,26)27)33-13-4-6-17-5-3-7-19(14-17)34-24(28,29)30/h3,5,7-9,14-15,32H,2,4,6,10-13,16,31H2,1H3
• InChIKey: APFIZGIKZFSLCM-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 64.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.49
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol?

The IUPAC name of 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol (CID 162545114) is 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol.

What is the SMILES notation for 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol?

The canonical SMILES for 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol is CCCC(N)(CO)CCc1ccc(OCCCc2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1.

What is the InChIKey of 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol?

The InChIKey is APFIZGIKZFSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F6NO3/c1-2-11-22(31,16-32)12-10-18-8-9-21(20(15-18)23(25,26)27)33-13-4-6-17-5-3-7-19(14-17)34-24(28,29)30/h3,5,7-9,14-15,32H,2,4,6,10-13,16,31H2,1H3.

What are the key properties of 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol?

2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol has a molecular weight of 493.49 g/mol, XLogP of 6.04, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[2-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]ethyl]pentan-1-ol is sourced from PubChem (CID 162545114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).