(1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

C25H24F6N2O2 — CID 142577459

IUPAC(1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESCOC[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C25H24F6N2O2/c1-35-15-19(13-16-5-3-2-4-6-16)32-14-22(34)20-11-12-21(33-23(20)25(29,30)31)17-7-9-18(10-8-17)24(26,27)28/h2-12,19,22,32,34H,13-15H2,1H3/t19-,22-/m0/s1
InChIKeyZHZZMWXGKBQWQU-UGKGYDQZSA-N
MW498.47 g/mol
LogP5.67
Rot. Bonds9

About (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

(1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (PubChem CID 142577459) has the molecular formula C25H24F6N2O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
PubChem CID142577459
Molecular FormulaC25H24F6N2O2
Molecular Weight498.47 g/mol
Exact Mass498.17
IUPAC Name(1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESCOC[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C25H24F6N2O2/c1-35-15-19(13-16-5-3-2-4-6-16)32-14-22(34)20-11-12-21(33-23(20)25(29,30)31)17-7-9-18(10-8-17)24(26,27)28/h2-12,19,22,32,34H,13-15H2,1H3/t19-,22-/m0/s1
InChIKeyZHZZMWXGKBQWQU-UGKGYDQZSA-N
XLogP5.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.47
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The IUPAC name of (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (CID 142577459) is (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is COC[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F.
What is the InChIKey of (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The InChIKey is ZHZZMWXGKBQWQU-UGKGYDQZSA-N. The full InChI is InChI=1S/C25H24F6N2O2/c1-35-15-19(13-16-5-3-2-4-6-16)32-14-22(34)20-11-12-21(33-23(20)25(29,30)31)17-7-9-18(10-8-17)24(26,27)28/h2-12,19,22,32,34H,13-15H2,1H3/t19-,22-/m0/s1.
What are the key properties of (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
(1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol has a molecular weight of 498.47 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 142577459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).