2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol

C24H24F3NO2 — CID 23078166

IUPAC2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol
SMILESOCC(CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1
InChIInChI=1S/C24H24F3NO2/c25-24(26,27)19-7-5-11-23(16-19)30-22-14-12-18(13-15-22)6-4-10-21(17-29)28-20-8-2-1-3-9-20/h1-3,5,7-9,11-16,21,28-29H,4,6,10,17H2
InChIKeyWUYYYHGUWXWUML-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.29
Rot. Bonds9

About 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol

2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol (PubChem CID 23078166) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol.

Molecular Properties

Compound Name2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol
PubChem CID23078166
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol
SMILESOCC(CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1
InChIInChI=1S/C24H24F3NO2/c25-24(26,27)19-7-5-11-23(16-19)30-22-14-12-18(13-15-22)6-4-10-21(17-29)28-20-8-2-1-3-9-20/h1-3,5,7-9,11-16,21,28-29H,4,6,10,17H2
InChIKeyWUYYYHGUWXWUML-UHFFFAOYSA-N
XLogP6.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol?
The IUPAC name of 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol (CID 23078166) is 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol.
What is the SMILES notation for 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol?
The canonical SMILES for 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol is OCC(CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1.
What is the InChIKey of 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol?
The InChIKey is WUYYYHGUWXWUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c25-24(26,27)19-7-5-11-23(16-19)30-22-14-12-18(13-15-22)6-4-10-21(17-29)28-20-8-2-1-3-9-20/h1-3,5,7-9,11-16,21,28-29H,4,6,10,17H2.
What are the key properties of 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol?
2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol has a molecular weight of 415.46 g/mol, XLogP of 6.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-[4-[3-(trifluoromethyl)phenoxy]phenyl]pentan-1-ol is sourced from PubChem (CID 23078166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).