2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C25H26F3NO2 — CID 70555468

IUPAC2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(CNCC(O)c1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26F3NO2/c1-18(15-29-16-24(30)21-8-5-9-22(14-21)25(26,27)28)20-10-12-23(13-11-20)31-17-19-6-3-2-4-7-19/h2-14,18,24,29-30H,15-17H2,1H3
InChIKeySGYJVNWMZFRLEB-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.71
Rot. Bonds9

About 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 70555468) has the molecular formula C25H26F3NO2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID70555468
Molecular FormulaC25H26F3NO2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(CNCC(O)c1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26F3NO2/c1-18(15-29-16-24(30)21-8-5-9-22(14-21)25(26,27)28)20-10-12-23(13-11-20)31-17-19-6-3-2-4-7-19/h2-14,18,24,29-30H,15-17H2,1H3
InChIKeySGYJVNWMZFRLEB-UHFFFAOYSA-N
XLogP5.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[1-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propan-2-yl]phenoxy]acetate
CID 70555770
(2R)-2-[4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethoxy]phenyl]propanoic acid
CID 67790270
2-[1-(3-chloro-4-phenylmethoxyphenyl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44522708
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
CID 145365424
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 70555468) is 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is CC(CNCC(O)c1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SGYJVNWMZFRLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO2/c1-18(15-29-16-24(30)21-8-5-9-22(14-21)25(26,27)28)20-10-12-23(13-11-20)31-17-19-6-3-2-4-7-19/h2-14,18,24,29-30H,15-17H2,1H3.
What are the key properties of 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 429.48 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylmethoxyphenyl)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 70555468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).