N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine

C11H14F3NO2 — CID 82714881

IUPACN-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCOCCONCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-16-5-6-17-15-8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7,15H,5-6,8H2,1H3
InChIKeyNOJUXRKPORLHTN-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.37
Rot. Bonds6

About N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine

N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 82714881) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID82714881
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCOCCONCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-16-5-6-17-15-8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7,15H,5-6,8H2,1H3
InChIKeyNOJUXRKPORLHTN-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 114033159
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106451262
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 82714881) is N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine is COCCONCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NOJUXRKPORLHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-5-6-17-15-8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine?
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 249.23 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 82714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).