[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine

C12H16F3NO3 — CID 129320520

IUPAC[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCOCOc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO3/c1-17-4-5-18-8-19-10-3-2-9(7-16)11(6-10)12(13,14)15/h2-3,6H,4-5,7-8,16H2,1H3
InChIKeyHELAWLOAIPDZMK-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.16
Rot. Bonds7

About [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine

[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 129320520) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID129320520
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCOCOc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO3/c1-17-4-5-18-8-19-10-3-2-9(7-16)11(6-10)12(13,14)15/h2-3,6H,4-5,7-8,16H2,1H3
InChIKeyHELAWLOAIPDZMK-UHFFFAOYSA-N
XLogP2.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43138655
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 62383274
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
4-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenoxy]pentan-2-yloxy]-2-(trifluoromethyl)benzonitrile
CID 143126220
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 126564818

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine (CID 129320520) is [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine is COCCOCOc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HELAWLOAIPDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-17-4-5-18-8-19-10-3-2-9(7-16)11(6-10)12(13,14)15/h2-3,6H,4-5,7-8,16H2,1H3.
What are the key properties of [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine?
[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 279.26 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 129320520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).