1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol

C15H14F3NO — CID 103792326

IUPAC1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)c(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F3NO/c16-12-7-14(18)13(17)6-11(12)8-19-9-15(20)10-4-2-1-3-5-10/h1-7,15,19-20H,8-9H2
InChIKeyOMEVTNXAXVHZIM-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.93
Rot. Bonds5

About 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol

1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol (PubChem CID 103792326) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
PubChem CID103792326
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)c(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F3NO/c16-12-7-14(18)13(17)6-11(12)8-19-9-15(20)10-4-2-1-3-5-10/h1-7,15,19-20H,8-9H2
InChIKeyOMEVTNXAXVHZIM-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
CID 167863503
1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol
CID 107644490
2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
CID 103605063
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
CID 60899902
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol?
The IUPAC name of 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol (CID 103792326) is 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol is OC(CNCc1cc(F)c(F)cc1F)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol?
The InChIKey is OMEVTNXAXVHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-12-7-14(18)13(17)6-11(12)8-19-9-15(20)10-4-2-1-3-5-10/h1-7,15,19-20H,8-9H2.
What are the key properties of 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol?
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol has a molecular weight of 281.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol is sourced from PubChem (CID 103792326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).