5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol

C13H18F3NO2 — CID 107267934

IUPAC5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-10(18)4-3-7-17-9-11-5-2-6-12(8-11)19-13(14,15)16/h2,5-6,8,10,17-18H,3-4,7,9H2,1H3
InChIKeyLYIAWLQPSAXAQP-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.84
Rot. Bonds7

About 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol

5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol (PubChem CID 107267934) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
PubChem CID107267934
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-10(18)4-3-7-17-9-11-5-2-6-12(8-11)19-13(14,15)16/h2,5-6,8,10,17-18H,3-4,7,9H2,1H3
InChIKeyLYIAWLQPSAXAQP-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
(3S)-4-phenyl-1-N-[[3-(trifluoromethoxy)phenyl]methyl]butane-1,3-diamine
CID 91391808
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
2-(2,2-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182
2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
CID 106236424
N-[[3-(trifluoromethoxy)phenyl]methyl]heptan-2-amine
CID 107104430

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol?
The IUPAC name of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol (CID 107267934) is 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol.
What is the SMILES notation for 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol?
The canonical SMILES for 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol is CC(O)CCCNCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol?
The InChIKey is LYIAWLQPSAXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-10(18)4-3-7-17-9-11-5-2-6-12(8-11)19-13(14,15)16/h2,5-6,8,10,17-18H,3-4,7,9H2,1H3.
What are the key properties of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol?
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol is sourced from PubChem (CID 107267934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).