(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol

C13H18F3NO2 — CID 95356220

IUPAC(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCN(C[C@@H](O)COCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-17(10-13(14,15)16)7-12(18)9-19-8-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3/t12-/m1/s1
InChIKeyXZNKBOGSMKZQDV-GFCCVEGCSA-N
MW277.29 g/mol
LogP2.06
Rot. Bonds7

About (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol

(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 95356220) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID95356220
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCN(C[C@@H](O)COCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-17(10-13(14,15)16)7-12(18)9-19-8-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3/t12-/m1/s1
InChIKeyXZNKBOGSMKZQDV-GFCCVEGCSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide
CID 139685675
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115898094
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
CID 172760983
CID 172760983

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol (CID 95356220) is (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol is CN(C[C@@H](O)COCc1ccccc1)CC(F)(F)F.
What is the InChIKey of (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is XZNKBOGSMKZQDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-17(10-13(14,15)16)7-12(18)9-19-8-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 95356220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).