1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol

C25H26F3NO2 — CID 5162254

IUPAC1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
SMILESOC(CNCCc1ccc(C(F)(F)F)cc1)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F3NO2/c26-25(27,28)22-13-11-19(12-14-22)15-16-29-17-23(30)18-31-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-24,29-30H,15-18H2
InChIKeyPUANSOTUBGWNQQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.00
Rot. Bonds10

About 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol

1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol (PubChem CID 5162254) has the molecular formula C25H26F3NO2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
PubChem CID5162254
Molecular FormulaC25H26F3NO2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
SMILESOC(CNCCc1ccc(C(F)(F)F)cc1)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F3NO2/c26-25(27,28)22-13-11-19(12-14-22)15-16-29-17-23(30)18-31-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-24,29-30H,15-18H2
InChIKeyPUANSOTUBGWNQQ-UHFFFAOYSA-N
XLogP5.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol (CID 5162254) is 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol is OC(CNCCc1ccc(C(F)(F)F)cc1)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The InChIKey is PUANSOTUBGWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO2/c26-25(27,28)22-13-11-19(12-14-22)15-16-29-17-23(30)18-31-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-24,29-30H,15-18H2.
What are the key properties of 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol has a molecular weight of 429.48 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 5162254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).