Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-

C15H22F3NO — CID 213808

IUPACN,N-diethyl-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]ethanamine
SMILESCCN(CC)CCOCCC1=CC(=CC=C1)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-3-19(4-2)9-11-20-10-8-13-6-5-7-14(12-13)15(16,17)18/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyRIPLCRCVDMGJDS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.70
Rot. Bonds8

About Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-

Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)- (PubChem CID 213808) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]ethanamine.

Molecular Properties

Compound NameTriethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-
PubChem CID213808
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN,N-diethyl-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]ethanamine
SMILESCCN(CC)CCOCCC1=CC(=CC=C1)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-3-19(4-2)9-11-20-10-8-13-6-5-7-14(12-13)15(16,17)18/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyRIPLCRCVDMGJDS-UHFFFAOYSA-N
XLogP3.70
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triethylamine, 2-(phenethyloxy)-
CID 213755
Ethylamine, N,N-dimethyl-2-(phenethyloxy)-
CID 33467
Triethylamine, 1,1'-dimethyl-2''-(phenethyloxy)-
CID 213756
Triethylamine, 2-((2,6-dimethylphenethyl)oxy)-
CID 213758
Triethylamine, 2-((p-methylphenethyl)oxy)-
CID 213370
Triethylamine, 2-(3-phenylpropoxy)-
CID 213371
N,N-Diethyl-2-(4-phenylbutoxy)ethan-1-amine
CID 213372
Propylamine, N,N-diethyl-3-(phenethyloxy)-
CID 213811
N,N-Diethyl-2-(2-phenylpropoxy)propan-1-amine
CID 213813
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
Benzene, (2-diethylaminoethoxy-1-phenyl)ethyl-
CID 171384452
2-(3-Phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
CID 50948572

Frequently Asked Questions

What is the IUPAC name of Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-?
The IUPAC name of Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)- (CID 213808) is N,N-diethyl-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]ethanamine.
What is the SMILES notation for Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-?
The canonical SMILES for Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)- is CCN(CC)CCOCCC1=CC(=CC=C1)C(F)(F)F.
What is the InChIKey of Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-?
The InChIKey is RIPLCRCVDMGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-19(4-2)9-11-20-10-8-13-6-5-7-14(12-13)15(16,17)18/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-?
Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)- has a molecular weight of 289.34 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)- is sourced from PubChem (CID 213808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).