(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol

C11H14F3NO2 — CID 1482360

IUPAC(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1ccccc1CNC[C@H](O)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-17-9-5-3-2-4-8(9)6-15-7-10(16)11(12,13)14/h2-5,10,15-16H,6-7H2,1H3/t10-/m0/s1
InChIKeyPMOYUUSJCIXDLX-JTQLQIEISA-N
MW249.23 g/mol
LogP1.71
Rot. Bonds5

About (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol

(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol (PubChem CID 1482360) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
PubChem CID1482360
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1ccccc1CNC[C@H](O)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-17-9-5-3-2-4-8(9)6-15-7-10(16)11(12,13)14/h2-5,10,15-16H,6-7H2,1H3/t10-/m0/s1
InChIKeyPMOYUUSJCIXDLX-JTQLQIEISA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634429
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol (CID 1482360) is (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol is COc1ccccc1CNC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
The InChIKey is PMOYUUSJCIXDLX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-17-9-5-3-2-4-8(9)6-15-7-10(16)11(12,13)14/h2-5,10,15-16H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 1482360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).