4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol

C12H16F3NO2 — CID 113222790

IUPAC4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
SMILESOc1ccc(CNCCCOCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)9-18-7-1-6-16-8-10-2-4-11(17)5-3-10/h2-5,16-17H,1,6-9H2
InChIKeyGCVXQNKIYFZYIT-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.45
Rot. Bonds7

About 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol (PubChem CID 113222790) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
PubChem CID113222790
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
SMILESOc1ccc(CNCCCOCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)9-18-7-1-6-16-8-10-2-4-11(17)5-3-10/h2-5,16-17H,1,6-9H2
InChIKeyGCVXQNKIYFZYIT-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.45
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-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306165
[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
CID 113365792
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62906637
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
3-butoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115575536
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732872
4-[[3-(2,6-dimethylphenoxy)propylamino]methyl]phenol
CID 122574298
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
1-[(4-chlorophenyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111131176

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol?
The IUPAC name of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol (CID 113222790) is 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol.
What is the SMILES notation for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol?
The canonical SMILES for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol is Oc1ccc(CNCCCOCC(F)(F)F)cc1.
What is the InChIKey of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol?
The InChIKey is GCVXQNKIYFZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-12(14,15)9-18-7-1-6-16-8-10-2-4-11(17)5-3-10/h2-5,16-17H,1,6-9H2.
What are the key properties of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol?
4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol has a molecular weight of 263.26 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol is sourced from PubChem (CID 113222790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).