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

C11H14F3NO2 — CID 82714629

IUPACN-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCONCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-6-7-17-15-8-9-4-2-3-5-10(9)11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeyRMRHVJVEDVMZCG-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.37
Rot. Bonds6

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

N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 82714629) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID82714629
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCONCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-6-7-17-15-8-9-4-2-3-5-10(9)11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeyRMRHVJVEDVMZCG-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

N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115279415
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715760
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 112652212
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 97237905
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 82714629) is N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine is COCCONCc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RMRHVJVEDVMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-6-7-17-15-8-9-4-2-3-5-10(9)11(12,13)14/h2-5,15H,6-8H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-(2-methoxyethoxy)-1-[2-(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-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 82714629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).