(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol

C13H18F3NO3 — CID 136588867

IUPAC(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol
SMILESCOc1ccc(C(N[C@H](C)CO)C(F)(F)F)cc1OC
InChIInChI=1S/C13H18F3NO3/c1-8(7-18)17-12(13(14,15)16)9-4-5-10(19-2)11(6-9)20-3/h4-6,8,12,17-18H,7H2,1-3H3/t8-,12?/m1/s1
InChIKeyUVHIFLYLCXVVJJ-SZSXPDSJSA-N
MW293.29 g/mol
LogP2.28
Rot. Bonds6

About (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol

(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol (PubChem CID 136588867) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol
PubChem CID136588867
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol
SMILESCOc1ccc(C(N[C@H](C)CO)C(F)(F)F)cc1OC
InChIInChI=1S/C13H18F3NO3/c1-8(7-18)17-12(13(14,15)16)9-4-5-10(19-2)11(6-9)20-3/h4-6,8,12,17-18H,7H2,1-3H3/t8-,12?/m1/s1
InChIKeyUVHIFLYLCXVVJJ-SZSXPDSJSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol with MolForge

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 70589172
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954007
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
(2R,3R)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171160776
N-[2,4-bis(3,4-dimethoxyphenyl)-1,1,1,5,5,5-hexafluoropentan-3-ylidene]hydroxylamine
CID 150979682
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
(2S,3S)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171162207
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol (CID 136588867) is (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol is COc1ccc(C(N[C@H](C)CO)C(F)(F)F)cc1OC.
What is the InChIKey of (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol?
The InChIKey is UVHIFLYLCXVVJJ-SZSXPDSJSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-8(7-18)17-12(13(14,15)16)9-4-5-10(19-2)11(6-9)20-3/h4-6,8,12,17-18H,7H2,1-3H3/t8-,12?/m1/s1.
What are the key properties of (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol?
(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol has a molecular weight of 293.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol is sourced from PubChem (CID 136588867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).