3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine

C13H18F3NO3 — CID 102927944

IUPAC3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCOCCOCCC(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-18-7-8-19-6-5-12(17)10-3-2-4-11(9-10)20-13(14,15)16/h2-4,9,12H,5-8,17H2,1H3
InChIKeyOLAYUNRRNBUBNP-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.64
Rot. Bonds8

About 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine

3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 102927944) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID102927944
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCOCCOCCC(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-18-7-8-19-6-5-12(17)10-3-2-4-11(9-10)20-13(14,15)16/h2-4,9,12H,5-8,17H2,1H3
InChIKeyOLAYUNRRNBUBNP-UHFFFAOYSA-N
XLogP2.64
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115854063
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (CID 102927944) is 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine is COCCOCCC(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is OLAYUNRRNBUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-18-7-8-19-6-5-12(17)10-3-2-4-11(9-10)20-13(14,15)16/h2-4,9,12H,5-8,17H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine?
3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 293.29 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 102927944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).