2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol

C17H18F3NO2 — CID 111421772

IUPAC2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
SMILESOCC(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)12-23-15-8-4-5-13(9-15)10-21-16(11-22)14-6-2-1-3-7-14/h1-9,16,21-22H,10-12H2
InChIKeyCUAYQRCBFXTXEN-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.45
Rot. Bonds7

About 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol

2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol (PubChem CID 111421772) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
PubChem CID111421772
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
SMILESOCC(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)12-23-15-8-4-5-13(9-15)10-21-16(11-22)14-6-2-1-3-7-14/h1-9,16,21-22H,10-12H2
InChIKeyCUAYQRCBFXTXEN-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
(2R)-3-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanoic acid
CID 120511530
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]pentanoic acid
CID 120509529
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
CID 111421775
2,2,2-trifluoro-N-[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 114010222
3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119712578
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine
CID 114079130
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
CID 103922964

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol (CID 111421772) is 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol is OCC(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol?
The InChIKey is CUAYQRCBFXTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c18-17(19,20)12-23-15-8-4-5-13(9-15)10-21-16(11-22)14-6-2-1-3-7-14/h1-9,16,21-22H,10-12H2.
What are the key properties of 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol?
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol has a molecular weight of 325.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 111421772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).