2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol

C11H14F3NO — CID 115724755

IUPAC2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
SMILESCC(CO)NC(C)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3NO/c1-6(5-16)15-7(2)8-3-9(12)11(14)10(13)4-8/h3-4,6-7,15-16H,5H2,1-2H3
InChIKeyHMUXORHYIYIJFC-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.14
Rot. Bonds4

About 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol

2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol (PubChem CID 115724755) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
PubChem CID115724755
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
SMILESCC(CO)NC(C)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3NO/c1-6(5-16)15-7(2)8-3-9(12)11(14)10(13)4-8/h3-4,6-7,15-16H,5H2,1-2H3
InChIKeyHMUXORHYIYIJFC-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
2-fluoro-4-[1-[[(2S)-1-hydroxypropan-2-yl]amino]ethyl]benzonitrile
CID 103930722
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol?
The IUPAC name of 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol (CID 115724755) is 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol is CC(CO)NC(C)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol?
The InChIKey is HMUXORHYIYIJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-6(5-16)15-7(2)8-3-9(12)11(14)10(13)4-8/h3-4,6-7,15-16H,5H2,1-2H3.
What are the key properties of 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol?
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 115724755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).