N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

C24H22F5NO — CID 19806386

IUPACN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESFc1ccc(C(OCCNCCc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F5NO/c25-21-8-4-18(5-9-21)23(19-6-10-22(26)11-7-19)31-15-14-30-13-12-17-2-1-3-20(16-17)24(27,28)29/h1-11,16,23,30H,12-15H2
InChIKeyOCDSARYONHTSMT-UHFFFAOYSA-N
MW435.44 g/mol
LogP5.92
Rot. Bonds9

About N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 19806386) has the molecular formula C24H22F5NO and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID19806386
Molecular FormulaC24H22F5NO
Molecular Weight435.44 g/mol
Exact Mass435.16
IUPAC NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESFc1ccc(C(OCCNCCc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F5NO/c25-21-8-4-18(5-9-21)23(19-6-10-22(26)11-7-19)31-15-14-30-13-12-17-2-1-3-20(16-17)24(27,28)29/h1-11,16,23,30H,12-15H2
InChIKeyOCDSARYONHTSMT-UHFFFAOYSA-N
XLogP5.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 19806386) is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine is Fc1ccc(C(OCCNCCc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is OCDSARYONHTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5NO/c25-21-8-4-18(5-9-21)23(19-6-10-22(26)11-7-19)31-15-14-30-13-12-17-2-1-3-20(16-17)24(27,28)29/h1-11,16,23,30H,12-15H2.
What are the key properties of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 435.44 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 19806386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).