2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine

C13H18F3NO3 — CID 61490558

IUPAC2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(OCCOCC(F)(F)F)c(CCN)c1
InChIInChI=1S/C13H18F3NO3/c1-18-11-2-3-12(10(8-11)4-5-17)20-7-6-19-9-13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKeyOAMDJHDFBMUDJX-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.15
Rot. Bonds8

About 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine

2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine (PubChem CID 61490558) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
PubChem CID61490558
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(OCCOCC(F)(F)F)c(CCN)c1
InChIInChI=1S/C13H18F3NO3/c1-18-11-2-3-12(10(8-11)4-5-17)20-7-6-19-9-13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKeyOAMDJHDFBMUDJX-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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

[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
1-(chloromethyl)-4-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490544
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 161269698
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine (CID 61490558) is 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine is COc1ccc(OCCOCC(F)(F)F)c(CCN)c1.
What is the InChIKey of 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine?
The InChIKey is OAMDJHDFBMUDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-18-11-2-3-12(10(8-11)4-5-17)20-7-6-19-9-13(14,15)16/h2-3,8H,4-7,9,17H2,1H3.
What are the key properties of 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine?
2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine has a molecular weight of 293.29 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 61490558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).