[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine

C13H18F3NO3 — CID 104559827

IUPAC[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCOCCOc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-18-4-5-19-6-7-20-11-3-2-10(9-17)12(8-11)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKeyQTBTUCFLAAIZGW-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.21
Rot. Bonds8

About [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine

[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 104559827) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID104559827
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCOCCOc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-18-4-5-19-6-7-20-11-3-2-10(9-17)12(8-11)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKeyQTBTUCFLAAIZGW-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 129320520
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43138655
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 62383274
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine (CID 104559827) is [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine is COCCOCCOc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QTBTUCFLAAIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-18-4-5-19-6-7-20-11-3-2-10(9-17)12(8-11)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3.
What are the key properties of [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine?
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 293.29 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 104559827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).