[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine

C14H20F3NO3 — CID 103400813

IUPAC[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCOCCCOc1ccc(C(F)(F)F)c(CN)c1
InChIInChI=1S/C14H20F3NO3/c1-19-7-8-20-5-2-6-21-12-3-4-13(14(15,16)17)11(9-12)10-18/h3-4,9H,2,5-8,10,18H2,1H3
InChIKeyGVWFGXQOXYCZAU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.60
Rot. Bonds9

About [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine

[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 103400813) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID103400813
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCOCCCOc1ccc(C(F)(F)F)c(CN)c1
InChIInChI=1S/C14H20F3NO3/c1-19-7-8-20-5-2-6-21-12-3-4-13(14(15,16)17)11(9-12)10-18/h3-4,9H,2,5-8,10,18H2,1H3
InChIKeyGVWFGXQOXYCZAU-UHFFFAOYSA-N
XLogP2.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.60
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-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 129320520
[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 82004812
[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
CID 103403216
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine (CID 103400813) is [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine is COCCOCCCOc1ccc(C(F)(F)F)c(CN)c1.
What is the InChIKey of [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GVWFGXQOXYCZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-19-7-8-20-5-2-6-21-12-3-4-13(14(15,16)17)11(9-12)10-18/h3-4,9H,2,5-8,10,18H2,1H3.
What are the key properties of [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine?
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 307.31 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103400813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).