5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol

C13H18F3NO2 — CID 107302851

IUPAC5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)19-12-6-4-5-11(9-12)10-17-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10H2
InChIKeySAZVIUWOUFYLKX-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.84
Rot. Bonds8

About 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol

5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol (PubChem CID 107302851) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
PubChem CID107302851
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)19-12-6-4-5-11(9-12)10-17-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10H2
InChIKeySAZVIUWOUFYLKX-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanesulfonamide
CID 107104428
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
4-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 107342549
2-methyl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 107104503

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol (CID 107302851) is 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol is OCCCCCNCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
The InChIKey is SAZVIUWOUFYLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c14-13(15,16)19-12-6-4-5-11(9-12)10-17-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10H2.
What are the key properties of 5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 2.84, 8 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-1-ol is sourced from PubChem (CID 107302851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).