N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine

C17H18F3NO — CID 54421927

IUPACN-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCN(C)OC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-3-21(2)22-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h4-12,16H,3H2,1-2H3
InChIKeyWBKMBPCXTTVOMV-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.68
Rot. Bonds5

About N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine

N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 54421927) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID54421927
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC NameN-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCN(C)OC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-3-21(2)22-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h4-12,16H,3H2,1-2H3
InChIKeyWBKMBPCXTTVOMV-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 54421927) is N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine is CCN(C)OC(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is WBKMBPCXTTVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-3-21(2)22-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h4-12,16H,3H2,1-2H3.
What are the key properties of N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 309.33 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 54421927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).