5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol

C14H20F3NO2 — CID 107270306

IUPAC5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
SMILESCC(O)CCCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-10(19)4-3-9-18-11(2)12-5-7-13(8-6-12)20-14(15,16)17/h5-8,10-11,18-19H,3-4,9H2,1-2H3
InChIKeyPZZOBSFOSXPHPL-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.40
Rot. Bonds7

About 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol

5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol (PubChem CID 107270306) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
PubChem CID107270306
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
SMILESCC(O)CCCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-10(19)4-3-9-18-11(2)12-5-7-13(8-6-12)20-14(15,16)17/h5-8,10-11,18-19H,3-4,9H2,1-2H3
InChIKeyPZZOBSFOSXPHPL-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.40
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

4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 63981698
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 64548302

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol?
The IUPAC name of 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol (CID 107270306) is 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol.
What is the SMILES notation for 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol?
The canonical SMILES for 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol is CC(O)CCCNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol?
The InChIKey is PZZOBSFOSXPHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10(19)4-3-9-18-11(2)12-5-7-13(8-6-12)20-14(15,16)17/h5-8,10-11,18-19H,3-4,9H2,1-2H3.
What are the key properties of 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol?
5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol is sourced from PubChem (CID 107270306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).