1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol

C16H15F4NO — CID 134033677

IUPAC1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESOC(CNCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15F4NO/c17-14-6-4-12(5-7-14)15(22)10-21-9-11-2-1-3-13(8-11)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeyNJJUOZOCGCJAQB-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol

1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol (PubChem CID 134033677) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
PubChem CID134033677
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESOC(CNCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15F4NO/c17-14-6-4-12(5-7-14)15(22)10-21-9-11-2-1-3-13(8-11)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeyNJJUOZOCGCJAQB-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
CID 110928608
(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 70832697
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 58802590
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115618244
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
4-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenoxy]butanenitrile
CID 119108897

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol (CID 134033677) is 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol is OC(CNCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The InChIKey is NJJUOZOCGCJAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-14-6-4-12(5-7-14)15(22)10-21-9-11-2-1-3-13(8-11)16(18,19)20/h1-8,15,21-22H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol has a molecular weight of 313.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol is sourced from PubChem (CID 134033677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).