(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol

C24H24F3NO2 — CID 69464607

IUPAC(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
SMILESCOc1ccc([C@@H](O)CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO2/c1-16(17-6-4-3-5-7-17)28-15-22(29)19-10-13-23(30-2)21(14-19)18-8-11-20(12-9-18)24(25,26)27/h3-14,16,22,28-29H,15H2,1-2H3/t16-,22+/m1/s1
InChIKeyJCQLCTZMCUQSNU-ZHRRBRCNSA-N
MW415.46 g/mol
LogP5.77
Rot. Bonds7

About (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol

(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol (PubChem CID 69464607) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
PubChem CID69464607
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
SMILESCOc1ccc([C@@H](O)CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO2/c1-16(17-6-4-3-5-7-17)28-15-22(29)19-10-13-23(30-2)21(14-19)18-8-11-20(12-9-18)24(25,26)27/h3-14,16,22,28-29H,15H2,1-2H3/t16-,22+/m1/s1
InChIKeyJCQLCTZMCUQSNU-ZHRRBRCNSA-N
XLogP5.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
CID 10387924
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 10452724
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
CID 45378002
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol (CID 69464607) is (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol is COc1ccc([C@@H](O)CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol?
The InChIKey is JCQLCTZMCUQSNU-ZHRRBRCNSA-N. The full InChI is InChI=1S/C24H24F3NO2/c1-16(17-6-4-3-5-7-17)28-15-22(29)19-10-13-23(30-2)21(14-19)18-8-11-20(12-9-18)24(25,26)27/h3-14,16,22,28-29H,15H2,1-2H3/t16-,22+/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol?
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol has a molecular weight of 415.46 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 69464607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).