(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol

C17H25F3N2O2 — CID 98763931

IUPAC(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCN(C)C[C@H]1CN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C17H25F3N2O2/c1-16(23,13-5-4-6-14(9-13)17(18,19)20)12-22-7-8-24-15(11-22)10-21(2)3/h4-6,9,15,23H,7-8,10-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyOGYMRIIVIGSCBR-HOTGVXAUSA-N
MW346.39 g/mol
LogP2.18
Rot. Bonds5

About (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol

(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 98763931) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID98763931
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCN(C)C[C@H]1CN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C17H25F3N2O2/c1-16(23,13-5-4-6-14(9-13)17(18,19)20)12-22-7-8-24-15(11-22)10-21(2)3/h4-6,9,15,23H,7-8,10-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyOGYMRIIVIGSCBR-HOTGVXAUSA-N
XLogP2.18
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol with MolForge

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Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 100842404
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610148
(2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 95343607
(2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 95343608
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
(2S)-1-[(2R)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]butan-2-ol
CID 99730970
(1S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 100842396

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 98763931) is (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is CN(C)C[C@H]1CN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is OGYMRIIVIGSCBR-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-16(23,13-5-4-6-14(9-13)17(18,19)20)12-22-7-8-24-15(11-22)10-21(2)3/h4-6,9,15,23H,7-8,10-12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 346.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 98763931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).