(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol

C14H20F3NO2 — CID 30982171

IUPAC(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
SMILESC[C@H](O)CN(Cc1ccccc1C(F)(F)F)C[C@H](C)O
InChIInChI=1S/C14H20F3NO2/c1-10(19)7-18(8-11(2)20)9-12-5-3-4-6-13(12)14(15,16)17/h3-6,10-11,19-20H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGTLGIUSUSDGDIU-QWRGUYRKSA-N
MW291.31 g/mol
LogP2.27
Rot. Bonds6

About (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol

(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol (PubChem CID 30982171) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
PubChem CID30982171
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
SMILESC[C@H](O)CN(Cc1ccccc1C(F)(F)F)C[C@H](C)O
InChIInChI=1S/C14H20F3NO2/c1-10(19)7-18(8-11(2)20)9-12-5-3-4-6-13(12)14(15,16)17/h3-6,10-11,19-20H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGTLGIUSUSDGDIU-QWRGUYRKSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
CID 119924718
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butan-2-ol;ethane
CID 144886289
1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 117289321
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol (CID 30982171) is (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol is C[C@H](O)CN(Cc1ccccc1C(F)(F)F)C[C@H](C)O.
What is the InChIKey of (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
The InChIKey is GTLGIUSUSDGDIU-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10(19)7-18(8-11(2)20)9-12-5-3-4-6-13(12)14(15,16)17/h3-6,10-11,19-20H,7-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 30982171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).