2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C23H22F3NO2 — CID 23647925

IUPAC2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22F3NO2/c24-23(25,26)20-11-6-10-18(13-20)21(28)15-27-14-19-9-4-5-12-22(19)29-16-17-7-2-1-3-8-17/h1-13,21,27-28H,14-16H2
InChIKeyONZHLZFZUVGRCW-UHFFFAOYSA-N
MW401.43 g/mol
LogP5.11
Rot. Bonds8

About 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647925) has the molecular formula C23H22F3NO2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647925
Molecular FormulaC23H22F3NO2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22F3NO2/c24-23(25,26)20-11-6-10-18(13-20)21(28)15-27-14-19-9-4-5-12-22(19)29-16-17-7-2-1-3-8-17/h1-13,21,27-28H,14-16H2
InChIKeyONZHLZFZUVGRCW-UHFFFAOYSA-N
XLogP5.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647925) is 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ONZHLZFZUVGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO2/c24-23(25,26)20-11-6-10-18(13-20)21(28)15-27-14-19-9-4-5-12-22(19)29-16-17-7-2-1-3-8-17/h1-13,21,27-28H,14-16H2.
What are the key properties of 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 401.43 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylmethoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).